SCHEMBL31575236

SCHEMBL31575236

Cn1c(=O)ccc2c(Br)ccc(C#N)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ESR2 Q92731 2/20 0.33
▸ ESRRA P11474 1/20 0.33
▸ BRD1 O95696 2/20 0.32
▸ BRPF1 P55201 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ BRPF3 Q9ULD4 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ADORA1 P30542 1/20 0.31
▸ AR P10275 1/20 0.31
▸ IMPDH2 P12268 2/20 0.30
▸ IMPDH1 P20839 1/20 0.30

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
SCHEMBL23356606 0.81 ADORA1 (0.36) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL27238839 0.81 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL30903880 0.81 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL31271785 0.75 IMPDH2 (0.36) ALDH1A1LMNAEGFRARIMPDH2
SCHEMBL27238858 0.70 AR (0.34) AR
SCHEMBL15797658 0.68 KDM4E (0.47) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL26596830 0.66 KDM4E (0.38) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL15804098 0.66 BRPF1 (0.40) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL2123551 0.65 IMPDH2 (0.36) KDM4EALDH1A1LMNAGAAEGFR
SCHEMBL2121819 0.64 CA1 (0.42) KDM4EMEN1ALDH1A1LMNAGAA

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-2025098509-A1 PYRROLIDINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-15 — — WO disclosed
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