SCHEMBL9538774

SCHEMBL9538774

O=C(Nc1ncccn1)c1ccco1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.69
NPC1 O15118 12/20 0.69
SMN1; SMN2 Q16637 9/20 0.69
CYP1A2 P05177 1/20 0.69
LMNA P02545 4/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
PTPN6 P29350 1/20 0.57
PTPN11 Q06124 1/20 0.57
TP53 P04637 5/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 2/20 0.55
TSHR P16473 1/20 0.55
THRB P10828 1/20 0.55
GAA P10253 1/20 0.54
PKM P14618 2/20 0.54
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL14864884 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL2807153 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL9868697 0.78 RAB9A (0.76) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL7059292 0.78 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL3975040 0.77 RAB9A (0.78) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL18640751 0.77 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL421493 0.76 RAB9A (0.81) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL11781626 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL30753825 0.76 MAPT (0.65) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL28302632 0.76 MAPT (0.65) RAB9ANPC1SMN1; SMN2CYP1A2POLB

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed