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SCHEMBL28005995

SCHEMBL28005995

O=C(O)c1ccc(C(=O)Oc2c[nH]nn2)cc1.[Cd]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 3/20 0.37
▸ SRD5A2 P31213 1/20 0.36
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NAPRT Q6XQN6 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28054634 0.98 TSHR (0.41) TSHRTP53MAPTSRD5A2CA1
SCHEMBL28065967 0.97 TSHR (0.40) TSHRTP53MAPTSRD5A2CA1
SCHEMBL28013539 0.97 TSHR (0.40) TSHRTP53MAPTSRD5A2CA1
SCHEMBL28044876 0.97 TSHR (0.40) TSHRTP53MAPTSRD5A2CA1
Sulfuric Acid SCHEMBL28590325 0.92 TP53 (0.36) TSHRTP53MAPTSRD5A2CA1
SCHEMBL27990722 0.91 HSD17B10 (0.38) MAPTALDH1A1HPGDALOX15SMN1; SMN2
SCHEMBL28015157 0.90 HSD17B10 (0.37) MAPTALDH1A1HPGDALOX15SMN1; SMN2
SCHEMBL28005920 0.87 POLB (0.40) TSHRTP53MAPTCA1CA2
SCHEMBL17495602 0.86 KMT2A (0.45) TSHRTP53MAPTALDH1A1HPGD
Sulfuric Acid SCHEMBL28590324 0.85 MAPT (0.36) MAPTSMN1; SMN2HSD17B10KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503913-A 1, 4-dimethyl-2, 5-dimethylene bis triazole cadmium terephthalate complex single crystal and application UNIV TIANJIN 2016-04-20 — — CN claimed
CN-105418655-A Potential fluorescent material tetraphenyl ethylene tetratriazole cadmium terephthalate complex and preparing method thereof UNIV TIANJIN 2016-03-23 — — CN claimed
CN-104610321-A Tetraphenyl ethylene four triazole terephthalic acid cadmium complex with potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN claimed
CN-104610324-A Triiodo-aniline-tri(triazole) cadmium terephthalate complex with potential fluorescent materials and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN claimed
CN-105503913-A 1, 4-dimethyl-2, 5-dimethylene bis triazole cadmium terephthalate complex single crystal and application UNIV TIANJIN 2016-04-20 — — CN disclosed
CN-105418655-A Potential fluorescent material tetraphenyl ethylene tetratriazole cadmium terephthalate complex and preparing method thereof UNIV TIANJIN 2016-03-23 — — CN disclosed
CN-104610321-A Tetraphenyl ethylene four triazole terephthalic acid cadmium complex with potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed
CN-104610321-A Tetraphenyl ethylene four triazole terephthalic acid cadmium complex with potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed
CN-104610321-A Tetraphenyl ethylene four triazole terephthalic acid cadmium complex with potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed
CN-104610324-A Triiodo-aniline-tri(triazole) cadmium terephthalate complex with potential fluorescent materials and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed