SCHEMBL31336305

SCHEMBL31336305

CCOC(=O)c1c(Cl)cc(C)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 2/20 0.49
OPRK1 P41145 1/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
USP2 O75604 1/20 0.44
GLP1R P43220 1/20 0.43
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 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
SCHEMBL1059732 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPK1POLBOPRK1
SCHEMBL1710186 0.90 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPK1POLBOPRK1
SCHEMBL24737978 0.89 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPK1POLBOPRK1
SCHEMBL10736055 0.88 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPK1POLBKMT2A
SCHEMBL8840383 0.87 POLB (0.57) SMN1; SMN2ALDH1A1MAPK1POLBOPRK1
SCHEMBL10004036 0.85 CYP3A4 (0.45) SMN1; SMN2ALDH1A1MAPK1CYP3A4TDP1
SCHEMBL31353159 0.84 POLB (0.50) SMN1; SMN2ALDH1A1MAPK1POLBKMT2A
SCHEMBL14625956 0.84 POLB (0.50) SMN1; SMN2ALDH1A1MAPK1POLBKMT2A
SCHEMBL2630833 0.83 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPK1POLBKMT2A
SCHEMBL14661145 0.83 POLB (0.47) SMN1; SMN2ALDH1A1MAPK1POLBKMT2A

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
CN-120020134-A Heterocyclic carbonyl derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2025-05-20 CN disclosed
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed