SCHEMBL11630604

SCHEMBL11630604

CN(C(=O)Cc1cccc(N)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.52
PPIB P23284 1/20 0.48
POLQ O75417 4/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
NLRP3 Q96P20 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL8263373 0.84 ALDH1A1 (0.58) POLQALDH1A1KMT2AMEN1LMNA
SCHEMBL20349603 0.83 ALDH1A1 (0.52) POLQALDH1A1KMT2AMEN1LMNA
SCHEMBL11630519 0.82 OPRK1 (0.51) OPRK1MAOAMAOBALDH1A1LTB4R
SCHEMBL20346359 0.82 POLQ (0.47) POLQALDH1A1KMT2ALMNANLRP3
SCHEMBL11627363 0.82 NPC1 (0.58) OPRK1MAOAMAOBALDH1A1KMT2A
SCHEMBL6184565 0.82 EGFR (0.48) POLQALDH1A1KMT2AKDM4ELMNA
SCHEMBL5461014 0.77 SIGMAR1 (0.56) OPRK1ALDH1A1KDM4ELMNAMAPT
SCHEMBL15676809 0.77 SIGMAR1 (0.56) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL1692108 0.77 POLQ (0.45) POLQALDH1A1KMT2ALMNANLRP3
SCHEMBL11625697 0.76 OPRK1 (0.46) OPRK1MAOAMAOBALDH1A1LMNA

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-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed