SCHEMBL9733998

SCHEMBL9733998

Cc1sc2nc(CCl)n(-c3ccccc3Cl)c(=O)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
GAK O14976 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL9733130 0.83 HTR1A (0.43) EGFRGAKPOLBALDH1A1SMN1; SMN2
SCHEMBL9733564 0.82 ALDH1A1 (0.52) POLBALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL9732906 0.77 ALDH1A1 (0.54) POLBALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL734003 0.76 PIK3CD (0.61) POLBALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL9733265 0.75 ATM (0.48) POLBALDH1A1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL734149 0.75 PIK3CG (0.54) POLBALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL733963 0.71 PIK3CG (0.58) POLBALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL1261561 0.71 PIK3CD (0.46) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL733511 0.71 PIK3CD (0.61) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4393532 0.70 ALDH1A1 (0.63) POLBALDH1A1CYP2D6CYP2C19SMN1; SMN2

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
US-5124331-A Anticancer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-06-23 US disclosed
EP-0364598-A1 3,4-dihydrothieno ¬2,3-d pyrimidine compounds and pharmaceutical application thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-25 EP disclosed