SCHEMBL9060479

SCHEMBL9060479

CNC(=S)Nc1c(C)cccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.43
ALOX12 P18054 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
CYP3A4 P08684 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
SCHEMBL5450399 0.82 LMNA (0.58) POLBATMGAASMN1; SMN2CYP1A2
SCHEMBL9311982 0.82 ALDH1A1 (0.44) POLBATMGAASMN1; SMN2CYP1A2
SCHEMBL9311503 0.80 EPHX1 (0.62) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL18509790 0.77 ESR2 (0.42) POLBSMN1; SMN2CYP1A2CYP2C19LMNA
SCHEMBL9311637 0.76 SMN1; SMN2 (0.68) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL11542705 0.75 GAA (0.73) POLBATMGAASMN1; SMN2MAPT
SCHEMBL16351359 0.73 ALDH1A1 (0.47) SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL9059999 0.73 SMN1; SMN2 (0.39) POLBGAASMN1; SMN2MAPTLMNA
SCHEMBL15484311 0.72 LMNA (0.69) POLBATMGAASMN1; SMN2CYP1A2
SCHEMBL11542857 0.72 ALDH1A1 (0.65) POLBGAASMN1; SMN2MAPTLMNA

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
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed