SCHEMBL9201115

SCHEMBL9201115

Cc1nn(C)c(Nc2ncccn2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SLC6A4 P31645 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
VDR P11473 1/20 0.36

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
SCHEMBL9416335 0.81 SMN1; SMN2 (0.43) TP53LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9192786 0.76 LMNA (0.43) TP53LMNAMAPK1TSHRL3MBTL1
SCHEMBL9571823 0.74 TP53 (0.42) TP53LMNAMAPK1TSHRL3MBTL1
SCHEMBL9195078 0.72 LMNA (0.50) TP53LMNAMAPK1TSHRALDH1A1
SCHEMBL9479805 0.72 TP53 (0.52) TP53LMNAMAPK1TSHRALDH1A1
SCHEMBL9817826 0.72 TP53 (0.44) TP53LMNAMAPK1TSHRL3MBTL1
SCHEMBL9197914 0.71 TP53 (0.49) TP53LMNAMAPK1TSHRL3MBTL1
SCHEMBL9440015 0.70 TP53 (0.43) TP53LMNAMAPK1TSHRL3MBTL1
SCHEMBL9416345 0.67 PIK3CG (0.36) LMNAL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9481321 0.64 MAPT (0.43) TP53LMNAMAPK1TSHRALDH1A1

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-0556396-B1 SUBSTITUTED PYRAZOLE DERIVATIVE AND AGROHORTICULTURAL BACTERICIDE NISSAN CHEMICAL IND LTD (JP) 1995-09-20 EP disclosed
EP-0556396-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AND AGROHORTICULTURAL BACTERICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1993-08-25 EP disclosed