SCHEMBL30954886

SCHEMBL30954886

[2H]C([2H])([2H])Oc1cc(Cl)c(C(=O)OC)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NNMT P40261 3/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.38
NQO2 P16083 4/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
ATR Q13535 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 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
SCHEMBL931914 0.91 NNMT (0.50) MAPTNNMTGAAATMMEN1
SCHEMBL3244089 0.79 MAPK1 (0.47) MAPTNNMTGAANQO2ALDH1A1
SCHEMBL5956248 0.78 NNMT (0.46) MAPTNNMTGAAMEN1USP2
SCHEMBL474122 0.77 KDM4E (0.44) MAPTNNMTGAANQO2MEN1
SCHEMBL29551416 0.77 KDM4E (0.44) MAPTNNMTGAANQO2MEN1
SCHEMBL31280472 0.76 NNMT (0.41) MAPTNNMTGAANQO2ATR
SCHEMBL24553897 0.76 NNMT (0.51) MAPTNNMTGAAMEN1USP2
SCHEMBL8495483 0.76 GAA (0.42) MAPTNNMTGAANQO2MEN1
SCHEMBL2217864 0.76 GAA (0.42) MAPTNNMTGAAATMNQO2
SCHEMBL4347479 0.76 NNMT (0.51) MAPTNNMTGAAMEN1USP2

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-4635949-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2024125395-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF 江苏恩华药业股份有限公司 2024-06-20 WO disclosed