SCHEMBL26070602

SCHEMBL26070602

COc1ccc(-c2nc(-c3nn[nH]c3C)cs2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ MAPT P10636 4/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ KDM4E B2RXH2 7/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ ECE1 P42892 2/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL18005977 0.84 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6198667 0.80 ALDH1A1 (0.72) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL26070611 0.78 SREBF2 (0.55) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6200175 0.76 ALDH1A1 (0.70) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6197622 0.75 ALDH1A1 (0.65) ALDH1A1MAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL6197627 0.74 ALDH1A1 (0.58) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6198574 0.74 ALDH1A1 (0.76) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL4279626 0.74 ALOX5 (0.64) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6200582 0.72 PTGS2 (0.59) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6200226 0.72 ALDH1A1 (0.62) ALDH1A1MAPTRAB9AMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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