SCHEMBL11132789

SCHEMBL11132789

CCOC(=O)c1c(C)cc2nc(CSC(=O)NC)n(-c3ccccc3Cl)c(=O)c2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.53
▸ CNR2 P34972 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PDE4B Q07343 3/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ PIK3CG P48736 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PPARG P37231 1/20 0.37

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
Hydrochloric Acid SCHEMBL10974500 0.99 CNR1 (0.52) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL11040498 0.91 CNR1 (0.51) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL10976108 0.86 CNR1 (0.65) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL10973972 0.86 CNR1 (0.57) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL11075597 0.85 CNR1 (0.56) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL10975710 0.85 CNR1 (0.54) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL10982516 0.85 CNR1 (0.59) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL10979002 0.83 CNR1 (0.51) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL1827713 0.83 CNR1 (0.52) CNR1CNR2ALDH1A1HPGDLMNA
SCHEMBL1826000 0.83 CNR1 (0.52) CNR1CNR2ALDH1A1LMNAPDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58049370-A — — None — — JP disclosed
JP-S5849370-A NOVEL 3-PHENYL-4-QUINAZOLONE DERIVATIVE URAKAWA MASAYUKI 1983-03-23 — — JP disclosed
Send feedback