SCHEMBL30954864

SCHEMBL30954864

[2H]C([2H])([2H])c1nc(Cl)nc(C([2H])([2H])[2H])c1F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1586151 0.80 ALDH1A1 (0.41) ALDH1A1ALOX15TSHR
SCHEMBL12599932 0.68 ALDH1A1 (0.35) ALDH1A1ALOX15TSHR
SCHEMBL30166648 0.68 ALDH1A1 (0.35) ALDH1A1ALOX15TSHR
SCHEMBL12599936 0.68 CYP1A2 (0.31)
SCHEMBL30954885 0.68 CYP1A2 (0.31)
SCHEMBL17784257 0.65 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL18913381 0.65 CDK1 (0.33) ALDH1A1ALOX15TSHR
SCHEMBL11248114 0.63 ALDH1A1 (0.35) ALDH1A1ALOX15TSHR
SCHEMBL20302639 0.62 YTHDC1 (0.43)
SCHEMBL12599748 0.62 LMNA (0.31)

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