SCHEMBL19092140

SCHEMBL19092140

CN(C)C1CCN([S+]([O-])c2ccc(-n3ncc4c(Br)cccc43)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ SCN9A Q15858 3/20 0.32
▸ SCN10A Q9Y5Y9 3/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ NR3C1 P04150 1/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL20598131 0.80 USP5 (0.44) CDK4CDK6HTR6CCR1
SCHEMBL26026399 0.79 SCN9A (0.33) CYP17A1CYP1A2CDK4CDK6SCN9A
SCHEMBL20025760 0.79 ACVR1 (0.33) CYP17A1CYP1A2
SCHEMBL4126308 0.69 MAPT (0.50) CYP17A1CYP1A2NR3C1CYP11B1CYP11B2
SCHEMBL19092141 0.68 HTR2A (0.41) —
SCHEMBL441028 0.67 CYP1A2 (0.54) CYP17A1CYP1A2NR3C1CCR1
SCHEMBL27837486 0.67 CYP1A2 (0.39) CYP17A1CYP1A2SCN9ACCR1CYP11B1
SCHEMBL28772690 0.65 CCR1 (0.38) CYP17A1CYP1A2CCR1CYP11B1CYP11B2
SCHEMBL4112054 0.63 SCN9A (0.41) CYP17A1CYP1A2SCN9ANR3C1CCR1
SCHEMBL17582162 0.62 NPC1 (0.50) CYP17A1CYP1A2SCN9ASCN10ANR3C1

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
EP-4219689-A2 IMMUNE EFFECTOR CELL THERAPIES WITH ENHANCED EFFICACY Novartis AG (CH) 2023-08-02 — — EP disclosed
WO-2018059549-A1 IMMUNE EFFECTOR CELL THERAPIES WITH ENHANCED EFFICACY NOVARTIS AG (CH) 2018-04-05 — — WO disclosed
WO-2017114497-A1 IMMUNE EFFECTOR CELL THERAPIES WITH ENHANCED EFFICACY NOVARTIS AG (CH) 2017-07-06 — — WO disclosed
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