SCHEMBL9728272

SCHEMBL9728272

Cc1ccc(C(=O)Nc2nc(=O)c3ccccc3n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
KDM4E B2RXH2 3/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.55
RXFP1 Q9HBX9 3/20 0.50
TP53 P04637 2/20 0.50
OPRK1 P41145 2/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 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
SCHEMBL9728470 0.91 RAB9A (0.68) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL9728142 0.86 MEN1 (0.56) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL9729063 0.86 MAPK1 (0.57) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL9728332 0.82 MAPT (0.52) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL9728645 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL16201551 0.74 PDE11A (0.84) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL7224007 0.74 EGFR (0.50) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL17383210 0.73 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14773948 0.72 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL29510945 0.72 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KDM4ETSHR

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
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US claimed
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed