SCHEMBL19492794

SCHEMBL19492794

CCc1c(C(=O)CCCC2CCOc3ccccc32)cnc2c(Br)c(C)nn12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 12/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KDM6B O15054 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 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
SCHEMBL19492619 0.89 KCNH2 (0.33) KDM4CMTNR1AMTNR1BKCNH2
SCHEMBL19492795 0.81 MAPK1 (0.40) MAPK1
SCHEMBL20768124 0.81 MAPK1 (0.40) MAPK1
SCHEMBL19492493 0.77 — —
SCHEMBL19492649 0.74 PDE2A (0.36) KDM4CMTNR1AMTNR1B
SCHEMBL19492669 0.74 KDM4C (0.38) KDM4CKDM6BMAPT
SCHEMBL19492642 0.73 PDE2A (0.34) KDM4CMTNR1AMTNR1BMAPT
SCHEMBL19492758 0.73 MTNR1A (0.39) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL19492647 0.72 KDM4C (0.36) KDM4C
SCHEMBL19492620 0.71 BRD4 (0.41) MAPK1

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
WO-2017178416-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2017-10-19 — — WO disclosed
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