SCHEMBL31053083

SCHEMBL31053083

COc1ccc(-c2[nH]c3ccccc3c2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ PTGS2 P35354 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ TUBB4A P04350 2/20 0.53
▸ TUBB P07437 2/20 0.53
▸ TUBA3C P0DPH7 2/20 0.53
▸ TUBA1B P68363 2/20 0.53
▸ TUBA4A P68366 2/20 0.53
▸ TUBB4B P68371 2/20 0.53
▸ TUBB3 Q13509 2/20 0.53
▸ TUBB2A Q13885 2/20 0.53
▸ TUBB8 Q3ZCM7 2/20 0.53
▸ TUBA3E Q6PEY2 2/20 0.53
▸ TUBA1A Q71U36 2/20 0.53

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
SCHEMBL1637807 1.00 KDM4E (0.57) KDM4EMAPTKMT2APTGS2ALDH1A1
SCHEMBL3356338 0.85 ALOX5 (0.71) KDM4EMAPTKMT2AALDH1A1HPGD
Indoxole SCHEMBL42592 0.83 PTGS2 (0.76) KDM4EMAPTKMT2APTGS2ALDH1A1
Indoxole SCHEMBL29519430 0.83 PTGS2 (0.76) KDM4EMAPTKMT2APTGS2ALDH1A1
SCHEMBL27255881 0.82 KDM4E (0.59) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL5196023 0.82 KDM4E (0.58) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL8856056 0.82 ALOX5 (0.68) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL27568891 0.82 CYP11B1 (0.48) KDM4EMAPTKMT2APTGS2ALDH1A1
SCHEMBL27549070 0.82 CYP11B1 (0.57) MAPTPTGS2HPGDTUBB4ATUBB
SCHEMBL1260425 0.81 CYP11B1 (0.66) KDM4EMAPTKMT2APTGS2ALDH1A1

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
CN-119161384-A Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-12-20 — — CN disclosed
CN-112105607-B Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-08-27 — — CN disclosed
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