SCHEMBL8010692

SCHEMBL8010692

Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OCCCCC(=C=O)N2CCN(C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 9/20 0.42
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL8010702 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7334833 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8008767 0.87 POLB (0.36) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL7480359 0.84 NPC1 (0.38) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL7998651 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL7344697 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7476628 0.83 POLB (0.35) ALDH1A1KDM4EMEN1KMT2ATP53
SCHEMBL7342170 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7335732 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7966903 0.81 MAPT (0.36) ALDH1A1KDM4ELMNAMEN1KMT2A

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-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed