SCHEMBL31096322

SCHEMBL31096322

O=C(O)Cn1ccc2cncc(F)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ MIF P14174 1/20 0.40
▸ GRIN2B Q13224 1/20 0.37
▸ EGLN1 Q9GZT9 3/20 0.37
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ GRM2 Q14416 3/20 0.33
▸ PPARG P37231 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL23850234 1.00 KMT2A (0.42) KMT2AMIFGRIN2BEGLN1ITGB3
SCHEMBL24407574 0.84 KDM4E (0.42) KMT2AGRM2KDM4EPOLBL3MBTL1
SCHEMBL31096344 0.84 KDM4E (0.42) KMT2AGRM2KDM4EPOLBL3MBTL1
SCHEMBL23854138 0.78 HDAC1 (0.36) EGLN1GRM2HDAC6KDM4EPOLB
SCHEMBL23854231 0.77 MAP2K1 (0.55) —
SCHEMBL31096306 0.77 MAP2K1 (0.55) —
SCHEMBL24407575 0.77 FLT1 (0.43) KMT2AMIFGRIN2BHDAC6
SCHEMBL30578895 0.75 PDE3B (0.33) —
SCHEMBL23853643 0.75 PDE3B (0.33) —
SCHEMBL27589447 0.74 KDM4E (0.44) KMT2AITGB3ITGA2BGRM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119215031-A Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-12-31 — — CN disclosed
CN-113645964-B Arylaniline and heteroaryl aniline compounds for fetal treatment 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-113473986-B Naphthyridoneaniline compounds for the treatment of skin disorders 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
CN-113660931-B Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-10-11 — — CN disclosed
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