SCHEMBL14081494

SCHEMBL14081494

O=c1c(OC2Cc3ccccc3C2)c(N2CCN(Cc3cc(O)cc(S)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ DCTPP1 Q9H773 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL11943344 0.94 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943397 0.89 BCL2L1 (0.48) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943345 0.84 NPC1 (0.43) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943368 0.82 ALDH1A1 (0.43) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11943340 0.81 ALDH1A1 (0.42) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943432 0.80 CYP2D6 (0.48) SMN1; SMN2LMNAKMT2ADRD2DRD3
SCHEMBL11943422 0.80 MAPK14 (0.45) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11943429 0.80 SMO (0.48) LMNAPOLBKMT2AMAPTDRD4
SCHEMBL11943360 0.79 ALDH1A1 (0.53) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11943472 0.79 DRD4 (0.51) SMN1; SMN2LMNAPOLBKMT2ANPC1

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-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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