SCHEMBL30746711

SCHEMBL30746711

CNS(=O)(=O)Nc1ccc(Cc2cncc(Nc3ccc(Br)cc3F)c2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ VSIR Q9H7M9 1/20 0.32

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
SCHEMBL26985279 1.00 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL26985095 0.82 RAF1 (0.42) CYP3A4CYP2C9SMN1; SMN2KMT2AMAPT
SCHEMBL30746420 0.82 RAF1 (0.42) CYP3A4CYP2C9SMN1; SMN2KMT2AMAPT
SCHEMBL26985119 0.76 NPC1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30746568 0.76 NPC1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30746508 0.76 TP53 (0.40) MAPTTP53NPC1RAB9AMAP2K2
SCHEMBL26984972 0.76 TP53 (0.40) MAPTTP53NPC1RAB9AMAP2K2
SCHEMBL26985148 0.76 EGFR (0.39) HTTMAPT
SCHEMBL30746620 0.76 EGFR (0.39) HTTMAPT
SCHEMBL30746469 0.75 KMT2A (0.34) SMN1; SMN2KMT2AMAPTTP53NPC1

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-120129678-A Mitogen-activated protein kinase (MEK) inhibitors 耐斯泰德医疗公司 2025-06-10 — — CN disclosed
EP-4551558-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-05-14 — — EP disclosed
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 — — WO disclosed
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