SCHEMBL23936940

SCHEMBL23936940

Cc1cc(C(F)(F)F)cc(NC2CCN(CCN)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ BRD4 O60885 2/20 0.36
▸ TAF1 P21675 1/20 0.36
▸ ATAD2 Q6PL18 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ IL1B P01584 3/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ PABPC1 P11940 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL23936955 0.77 SMN1; SMN2 (0.37) CARM1PRMT6MAPK1NPSR1DRD2
SCHEMBL23936916 0.75 ALDH1A1 (0.36) CARM1PRMT6MAPK1NPSR1BRD4
SCHEMBL21196782 0.74 FPR2 (0.43) KCNH2MAPK1NPSR1DRD2DRD3
SCHEMBL23922733 0.74 P2RY14 (0.35) KCNH2CACNA1IMAPK1NPSR1DRD2
SCHEMBL23936941 0.73 BRD4 (0.33) CARM1PRMT6KCNH2MAPK1NPSR1
SCHEMBL21196704 0.72 CYBB (0.40) KCNH2MAPK1NPSR1DRD2DRD3
SCHEMBL21196613 0.72 MAPK1 (0.36) CARM1PRMT6KCNH2MAPK1NPSR1
SCHEMBL21196583 0.70 RHOC (0.37) KCNH2MAPK1NPSR1GRIN2BKDM4E
SCHEMBL21196739 0.70 GRIN2B (0.34) CARM1PRMT6KCNH2MAPK1NPSR1
SCHEMBL21214268 0.70 GRIN2B (0.34) CARM1PRMT6KCNH2MAPK1NPSR1

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
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 — — EP disclosed
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