SCHEMBL29032183

SCHEMBL29032183

COc1ccc2c(F)ccc(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CDK4 P11802 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1042775 0.80 CA12 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30180094 0.80 CA12 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15266286 0.79 CA12 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL276828 0.78 EGFR (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29785358 0.78 EGFR (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29792960 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29032197 0.74 CYP2A6 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL17733168 0.74 MEN1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL250035 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12575152 0.74 KDM4E (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116249691-B Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-04-25 — — CN disclosed
CN-116478059-A Crystal form, eutectic crystal form and eutectic crystal form of dicyclic derivative regulator and preparation method thereof 上海翰森生物医药科技有限公司 2023-07-25 — — CN disclosed
CN-116249691-A Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-09 — — CN disclosed
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