SCHEMBL31366672

SCHEMBL31366672

CN(C)c1ccc(N=Nc2ccc(CO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ TSHR P16473 5/20 0.59
▸ MAPK1 P28482 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ NPC1 O15118 6/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ POLB P06746 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP3A4 P08684 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL165131 0.87 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217840 0.82 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217829 0.82 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL1405466 0.82 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL3217836 0.82 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL14690091 0.82 NOS3 (0.54) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL1405467 0.82 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL14690090 0.82 NOS3 (0.54) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL19822987 0.82 MMP14 (0.42) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL2682425 0.82 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431470-A Compound for preparing artificial tumor target and preparation method and application thereof 中山大学·深圳 2025-02-14 — — CN claimed
CN-119431470-A Compound for preparing artificial tumor target and preparation method and application thereof 中山大学·深圳 2025-02-14 — — CN disclosed
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