SCHEMBL8713944

SCHEMBL8713944

Cc1ccc(NCC(=O)NC2CCCc3ccccc3N2C(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL8715144 0.89 CFD (0.39) TP53LMNA
SCHEMBL8717618 0.87 KMT2A (0.41) SMN1; SMN2HPGDKMT2APOLBTP53
SCHEMBL8718456 0.83 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL8716877 0.82 POLB (0.45) SMN1; SMN2HPGDPOLBTP53LMNA
SCHEMBL8715313 0.80 ALDH1A1 (0.47) NPC1HPGDKMT2APOLBLMNA
SCHEMBL8714614 0.78 MEN1 (0.52) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL8714949 0.77 KMT2A (0.54) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL8718493 0.77 ALDH1A1 (0.42) HPGDTP53LMNAALDH1A1
SCHEMBL8713003 0.77 AVPR2 (0.58)
SCHEMBL8713941 0.77 POLB (0.41) NPC1RAB9ASMN1; SMN2HPGDKMT2A

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed