SCHEMBL18801014

SCHEMBL18801014

C=C1CCNc2ccc(C(F)(F)F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ PARP11 Q9NR21 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ KIF11 P52732 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTPN5 P54829 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL12894753 0.80 PARP10 (0.58) PARP10PARP1PARP11HTR2AHTR2C
SCHEMBL4991137 0.75 PARP10 (0.56) PARP10PARP1PARP11S1PR1HTR2A
SCHEMBL3534887 0.74 PARP10 (0.51) PARP10PARP1PARP11KIF11MEN1
SCHEMBL19978083 0.74 PARP10 (0.46) PARP10PARP1PARP11MEN1ALDH1A1
SCHEMBL25089741 0.73 PARP1 (0.53) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL5775632 0.72 MEN1 (0.44) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL1735429 0.72 PARP10 (0.60) PARP10PARP1PARP11S1PR1HTR2A
SCHEMBL30038782 0.72 PARP10 (0.60) PARP10PARP1PARP11S1PR1HTR2A
SCHEMBL30953872 0.70 PARP10 (0.54) PARP10PARP1PARP11HTR2AHTR2C
SCHEMBL429558 0.70 PARP10 (0.54) PARP10PARP1PARP11HTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272749-A1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 — — EP disclosed
EP-2914594-B1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE Bayer Pharma AG (DE) 2017-05-03 — — EP disclosed
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