SCHEMBL28569132

SCHEMBL28569132

COC(=O)c1ccc2c(c1)c(Cc1ccccc1)nn2C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL28582472 0.87 TSHR (0.43) TSHRL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL17608582 0.74 F2RL3 (0.45) ALDH1A1
SCHEMBL28586560 0.74 IDH1 (0.56) FGFR1IDH1TLR7EHMT2
SCHEMBL28563899 0.74 EHMT2 (0.44) FGFR1IDH1TLR7EHMT2PLA2G2A
SCHEMBL17608370 0.73 POLB (0.47) HRH1ALDH1A1
SCHEMBL15687530 0.71 ALDH1A1 (0.50) FGFR1EHMT2PLA2G2AL3MBTL1ALDH1A1
SCHEMBL15687602 0.71 HASPIN (0.50) IDH1L3MBTL1ALDH1A1GLAHPGD
SCHEMBL16127813 0.70 GAA (0.52) TSHRALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL16025801 0.69 ELANE (0.44) FGFR1TSHRL3MBTL1ALDH1A1GLA
SCHEMBL14977876 0.69 F2RL3 (0.48) FGFR1TSHRALDH1A1HPGDCYP1A2

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 — — CN disclosed
CN-112759541-A Indole-like derivatives and uses thereof 复旦大学 2021-05-07 — — CN disclosed
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