SCHEMBL9728645

SCHEMBL9728645

Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)n2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
RXFP1 Q9HBX9 2/20 0.57
TP53 P04637 2/20 0.57
ALOX15 P16050 1/20 0.57
PPARG P37231 1/20 0.57
KCNH2 Q12809 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
KDM4E B2RXH2 3/20 0.57
TSHR P16473 2/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL9728467 0.92 RAB9A (0.72) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9728472 0.82 KDM4E (0.57) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL9728272 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29510945 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14773948 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9728402 0.76 RAB9A (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9728156 0.76 KDM4E (0.73) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL16201551 0.76 PDE11A (0.84) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9728648 0.75 ADORA3 (0.57) RAB9ANPC1TP53NPSR1KDM4E
SCHEMBL17916715 0.75 RAB9A (0.89) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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