SCHEMBL23949239

SCHEMBL23949239

Cn1nc(N)cc1Oc1cc(C#N)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
AR P10275 3/20 0.33
HTT P42858 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
EIF4E P06730 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
LMNA P02545 1/20 0.30
ICMT O60725 1/20 0.30
ABCC3 O15438 1/20 0.30
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 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
SCHEMBL30353335 1.00 CYP19A1 (0.33) CYP19A1ARHTTEGLN2HRH4
SCHEMBL23949271 0.83 EIF4E (0.34) CYP19A1AREIF4EMKNK1MKNK2
SCHEMBL23949599 0.81 KMT2A (0.41) LMNAADORA1PRKDC
SCHEMBL25058665 0.77
SCHEMBL30353381 0.76 FNTA (0.35) CYP19A1AR
SCHEMBL23949263 0.76 EGLN2 (0.34) EGLN2EIF4EMKNK1MKNK2KCNH2
SCHEMBL23949240 0.75 NSD2 (0.38) CYP19A1EGLN2PRKDC
SCHEMBL23949264 0.73
SCHEMBL25058224 0.72 NSD2 (0.34) CYP19A1EGLN2
SCHEMBL30256634 0.72 NSD2 (0.34) CYP19A1EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
WO-2021210650-A1 ARYL OR HETEROARYL DERIVATIVE 帝人ファーマ株式会社 2021-10-21 WO disclosed