SCHEMBL7319949

SCHEMBL7319949

CCCCN(C)C(=O)Cc1cccc2nsnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7299899 0.76 TSHR (0.45) TSHRKMT2ATHRBALDH1A1POLB
Bromide SCHEMBL10413107 0.75 TSHR (0.44) TSHRKMT2ATHRBALDH1A1POLB
SCHEMBL762893 0.73 KMT2A (0.56) TSHRKMT2AALDH1A1POLBLMNA
SCHEMBL28957583 0.72 MEN1 (0.47) TSHRKMT2AALDH1A1POLBMAPT
SCHEMBL25399818 0.71 ALDH1A1 (0.43) TSHRKMT2AALDH1A1POLBLMNA
SCHEMBL25399680 0.69 SMN1; SMN2 (0.45) TSHRKMT2AALDH1A1POLBLMNA
SCHEMBL25406586 0.66 TSHR (0.43) TSHRKMT2ATHRBALDH1A1POLB
SCHEMBL25397933 0.65 SMN1; SMN2 (0.42) TSHRKMT2AALDH1A1POLBLMNA
SCHEMBL11628529 0.64 LTB4R (0.45) LMNAMAPT
SCHEMBL25400526 0.64 SMN1; SMN2 (0.46) TSHRKMT2ATHRBALDH1A1POLB

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
EP-0304789-B1 BENZIMIDAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-17 EP disclosed
US-4925854-A Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed