SCHEMBL31336280

SCHEMBL31336280

Cc1nc(Cl)c(C(=O)OC(C)C)c(OCc2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GLRA1 P23415 1/20 0.42
PTPN1 P18031 1/20 0.42
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
PRNP P04156 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
PTGER1 P34995 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL26608206 1.00 ALDH1A1 (0.43) ALDH1A1GLRA1PTPN1LMNAHPGD
SCHEMBL30593142 0.87 POLB (0.49) ALDH1A1PTPN1LMNAHPGDTSHR
SCHEMBL26608399 0.87 POLB (0.49) ALDH1A1PTPN1LMNAHPGDTSHR
SCHEMBL26601732 0.86 KMT2A (0.47) ALDH1A1PTPN1LMNAHPGDMEN1
SCHEMBL31336221 0.86 KMT2A (0.47) ALDH1A1PTPN1LMNAHPGDMEN1
SCHEMBL26608371 0.85 ALDH1A1 (0.48) ALDH1A1GLRA1PTPN1LMNAHPGD
SCHEMBL31336263 0.77 KMT2A (0.48) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL31336276 0.77 RAB9A (0.51) ALDH1A1LMNAHPGDL3MBTL1MEN1
SCHEMBL26608464 0.77 KMT2A (0.48) ALDH1A1LMNAHPGDTSHRL3MBTL1
SCHEMBL26608329 0.77 RAB9A (0.51) ALDH1A1LMNAHPGDL3MBTL1MEN1

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
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