SCHEMBL19215840

SCHEMBL19215840

CCCC(=O)CCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HRH1 P35367 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
IAPP P10997 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.44
PTPRA P18433 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL10967853 0.88 CYP1A2 (0.53) CYP1A2SMN1; SMN2CYP2C19LMNATDP1
SCHEMBL29507612 0.87 SMN1; SMN2 (0.50) CYP1A2SMN1; SMN2CYP2C19LMNAHRH1
SCHEMBL6219924 0.84 RAB9A (0.49) CYP1A2SMN1; SMN2CYP2C19LMNAALDH1A1
SCHEMBL2722250 0.80 ALDH1A1 (0.57) CYP1A2SMN1; SMN2CYP2C19LMNATDP1
SCHEMBL24242091 0.80 CYP1A2 (0.49) CYP1A2SMN1; SMN2CYP2C19LMNATDP1
Hydrochloric Acid SCHEMBL10646982 0.80 SMN1; SMN2 (0.52) CYP1A2SMN1; SMN2CYP2C19LMNAHRH1
SCHEMBL27775436 0.79 HRH3 (0.47) CYP1A2SMN1; SMN2CYP2C19LMNATDP1
SCHEMBL27582025 0.79 SMN1; SMN2 (0.55) CYP1A2SMN1; SMN2CYP2C19LMNATDP1
Succinic Acid SCHEMBL23501857 0.79 SMN1; SMN2 (0.55) CYP1A2SMN1; SMN2CYP2C19LMNATDP1
SCHEMBL894896 0.79 SMN1; SMN2 (0.48) CYP1A2SMN1; SMN2CYP2C19LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
EP-2446026-B1 TRANSAMINASE REACTIONS CODEXIS INC (US) 2017-08-09 EP disclosed