SCHEMBL31085432

SCHEMBL31085432

O=[N+]([O-])c1cc2c(F)nn(C3CCCCO3)c2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ WNK1 Q9H4A3 2/20 0.33
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ RET P07949 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ HCAR3 P49019 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ BAX Q07812 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22655613 1.00 MAPT (0.38) MAPTPKMMAPK1CYP4F2CYP4A11
SCHEMBL25392327 0.83 CYP4F2 (0.39) MAPTCYP4F2CYP4A11RXRARXRB
SCHEMBL27338781 0.82 MAPT (0.40) MAPTCYP4F2CYP4A11KMT2AMEN1
SCHEMBL22655888 0.81 RET (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31085415 0.81 RET (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15744178 0.79 CYP4F2 (0.39) MAPTMAPK1CYP4F2CYP4A11RXRA
SCHEMBL767404 0.79 CYP4F2 (0.39) MAPTMAPK1CYP4F2CYP4A11RXRA
SCHEMBL2565958 0.78 KMT2A (0.36) MAPTCYP4F2CYP4A11RETKMT2A
SCHEMBL30811764 0.78 CYP4F2 (0.33) CYP4F2CYP4A11RETKMT2AALDH1A1
SCHEMBL21797036 0.77 RXRA (0.47) MAPTPKMMAPK1CYP4F2CYP4A11

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-114096542-B Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2024-09-10 — — CN disclosed
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