SCHEMBL27763598

SCHEMBL27763598

Cc1ccc(NC(=O)c2cccc3[nH]c(-c4ccco4)nc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.56
NPC1 O15118 11/20 0.56
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
HSD17B10 Q99714 7/20 0.56
HPGD P15428 6/20 0.56
MAPT P10636 6/20 0.56
TP53 P04637 6/20 0.56
POLB P06746 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 2/20 0.47
CASP7 P55210 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL27742874 0.90 MAPT (0.51) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27742887 0.89 MAPT (0.51) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27763516 0.89 RAB9A (0.51) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27763531 0.85 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27742881 0.84 MAPT (0.52) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27742879 0.84 NPC1 (0.49) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27763504 0.83 NPC1 (0.50) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27763518 0.80 MMP2 (0.50) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28780360 0.80 PARP1 (0.47) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27763525 0.80 RAB9A (0.43) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2

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
CN-101434601-A 2-furyl-1H-benzimidazole-4-acidamide type derivative UNIV SHANGHAI JIAOTONG (CN) 2009-05-20 CN disclosed