SCHEMBL7396348

SCHEMBL7396348

O=c1oc(-c2cccs2)nc2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.63
▸ HPGD P15428 6/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ F2 P00734 2/20 0.63
▸ F10 P00742 1/20 0.56
▸ F7 P08709 1/20 0.56
▸ F3 P13726 1/20 0.56
▸ KDM4E B2RXH2 9/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HSD17B10 Q99714 6/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GAA P10253 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ MAPT P10636 4/20 0.46
▸ CASP7 P55210 1/20 0.43
▸ RAB9A P51151 4/20 0.43

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
SCHEMBL913374 0.78 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL14571456 0.76 F2 (0.65) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL914639 0.75 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7387892 0.73 ALDH1A1 (0.70) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7394044 0.72 KDM4E (0.62) ALDH1A1HPGDSMN1; SMN2KMT2AF2
SCHEMBL913427 0.72 F7 (0.72) ALDH1A1HPGDF2F10F7
SCHEMBL914532 0.71 F7 (1.00) ALDH1A1HPGDMEN1KMT2AF2
SCHEMBL915806 0.70 HSD17B10 (0.67) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL8059748 0.70 HSD17B10 (0.66) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3354495 0.70 ELANE (0.56) ALDH1A1MEN1KMT2AF2F10

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
WO-2000030646-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 2000-06-02 — — WO claimed
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