SCHEMBL23936941

SCHEMBL23936941

Cc1cc(C2=CCCC2)ccc1Nc1c(C)cc(C(F)(F)F)cc1NC1CCN(CCN)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ HDAC1 Q13547 5/20 0.32
▸ HDAC2 Q92769 5/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ CXCR3 P49682 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL23936916 0.79 ALDH1A1 (0.36) BRD4MAPK14CARM1PRMT6MAPK1
SCHEMBL23936955 0.77 SMN1; SMN2 (0.37) CARM1PRMT6MAPK1NPSR1
SCHEMBL21214040 0.76 CYP2D6 (0.31) CXCR3KCNH2
Hydrochloric Acid SCHEMBL19747346 0.76 CYP2D6 (0.31) KCNH2
SCHEMBL23936940 0.73 CARM1 (0.41) BRD4MAPK14CARM1PRMT6MAPK1
SCHEMBL23936904 0.72 TTK (0.38) MAPK1
SCHEMBL21196782 0.63 FPR2 (0.43) MAPK1NPSR1KCNH2HRH3
SCHEMBL21196704 0.61 CYBB (0.40) MAPK1NPSR1KCNH2HRH3
SCHEMBL23922733 0.60 P2RY14 (0.35) MAPK1NPSR1CXCR3KCNH2
SCHEMBL21196720 0.60 FPR2 (0.38) MAPK1NPSR1KCNH2HRH3

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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