SCHEMBL7904983

SCHEMBL7904983

Cc1ccc(CNC(=O)NC(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 4/20 0.58
TP53 P04637 1/20 0.54
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
MCL1 Q07820 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
AKR1C3 P42330 1/20 0.49
LMNA P02545 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL16942610 0.80 NPC1 (0.79) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL24576001 0.80 MEN1 (0.63) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14859802 0.78 TP53 (0.55) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2408013 0.77 ANPEP (0.56) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13932522 0.77 ALDH1A1 (0.78) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL104476 0.75 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10099559 0.75 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24934740 0.75 RAB9A (0.76) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18232439 0.75 RAB9A (0.76) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3556571 0.75 ALDH1A1 (0.62) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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
US-6204220-B1 AS HERBICIDES FOR CONTROLLING UNWANTED VEGETATION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-03-20 US claimed