SCHEMBL9697111

SCHEMBL9697111

Cc1ccc(Cn2[c]nc3ccccc32)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 2/20 0.41
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
TRPC5 Q9UL62 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 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
SCHEMBL8457471 0.82 HIF1A (0.38) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL9696683 0.80 GRIN1 (0.37) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL8450128 0.76 TSHR (0.49) RAB9ATSHRHPGDMAPTALDH1A1
SCHEMBL4737092 0.73 SLC9A1 (0.34) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL356141 0.73 TNF (0.47) ALDH1A1SMN1; SMN2LMNACYP2C9CYP1A2
SCHEMBL1381878 0.72 SLC9A1 (0.44) NPC1RAB9ATSHRHPGDMAPT
SCHEMBL9697135 0.72 CYP11B1 (0.57) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL27469643 0.70 TSHR (0.49) NPC1RAB9ATSHRHPGDMAPT
SCHEMBL16756519 0.70 TSHR (0.52) NPC1RAB9ATSHRMAPTALDH1A1
SCHEMBL1828029 0.69 SLC9A1 (0.47) NPC1RAB9ATSHRHPGDMAPT

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-1992006086-A1 NOVEL 4-PIPERIDINYLCARBONYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-16 WO disclosed