SCHEMBL31514430

SCHEMBL31514430

Cn1c2c(c(O)c(C(=O)O)c1=O)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL31514466 0.83 USP2 (0.48) TSHRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL26086552 0.74 AHR (0.38) LMNA
SCHEMBL26086567 0.74 LMNA (0.44) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL20546213 0.71 KDM4E (0.47) TSHRALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL26087011 0.70 AHR (0.34) —
SCHEMBL26088305 0.70 AHR (0.34) —
SCHEMBL26088430 0.70 HNF4A (0.35) LMNA
SCHEMBL26088868 0.70 AHR (0.34) —
SCHEMBL17895823 0.68 LMNA (0.35) TSHRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL17896049 0.68 LMNA (0.35) TSHRALDH1A1KDM4EPOLBMAPT

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
WO-2025045145-A1 WRN HELICASE-INHIBITING BIS-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 广州科恩泰生物医药科技有限公司 2025-03-06 — — WO disclosed
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