SCHEMBL30719400

SCHEMBL30719400

O=c1cnccn1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.51
▸ CYP11B2 P19099 3/20 0.51
▸ CYP19A1 P11511 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ NFATC1 O95644 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL21527215 0.83 MAPT (0.56) CYP11B1CYP11B2CYP19A1MAPTTHRB
SCHEMBL28105272 0.83 TP53 (0.36) CYP11B1CYP11B2CYP19A1MAPTPKM
SCHEMBL7614386 0.83 KDM4C (0.50) CYP11B1CYP11B2CYP19A1MAPTDYRK1A
SCHEMBL7617006 0.81 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL21201591 0.80 NPBWR1 (0.40) MAPTHTTALDH1A1LMNASMN1; SMN2
SCHEMBL22148839 0.77 KLKB1 (0.37) CYP11B1CYP11B2CYP19A1MAPTLMNA
SCHEMBL1240350 0.75 MAPT (0.56) CYP11B1CYP11B2MAPTTHRBHTT
SCHEMBL24754230 0.75 TBXAS1 (0.43) CYP19A1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL16881377 0.74 KLKB1 (0.40) CYP11B1CYP11B2NPSR1LMNAPOLB
SCHEMBL28617449 0.70 GRM2 (0.52) CYP11B1CYP11B2CYP19A1MAPTTHRB

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
CN-112513020-B KDM1A inhibitors for the treatment of diseases 伊美格生物科学公司 2024-02-23 — — CN disclosed
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