SCHEMBL19977140

SCHEMBL19977140

Cc1c(NC(=O)C(C)NC(=O)c2ccccc2)cccc1-n1cnnn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.42
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL19977021 0.91 ALDH1A1 (0.51) ATMKDM4EMEN1KMT2AALDH1A1
SCHEMBL19976981 0.87 SMN1; SMN2 (0.43) ATMKDM4EMEN1KMT2AALDH1A1
SCHEMBL24863112 0.85 F11 (0.51) ATMKDM4EMEN1KMT2AALDH1A1
SCHEMBL16999795 0.85 F11 (0.51) ATMKDM4EMEN1KMT2AALDH1A1
SCHEMBL19977139 0.84 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL19977081 0.79 KCNQ2 (0.54) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL19977083 0.78 SMN1; SMN2 (0.46) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL19976955 0.78 POLB (0.53) ALDH1A1MAPTPOLBSMN1; SMN2NPC1
SCHEMBL19977018 0.76 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL19977072 0.76 LMNA (0.54) KMT2APOLBSMN1; SMN2HPGDGAA

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-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed