SCHEMBL9843969

SCHEMBL9843969

O=C(CCl)N1C=C(c2cccc(C(F)(F)F)c2)NC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.41
MAPT P10636 1/20 0.41
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
HTR2C P28335 2/20 0.38
ORAI1 Q96D31 1/20 0.38
LMNA P02545 1/20 0.38
KMO O15229 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
GRIN2B Q13224 3/20 0.37
GRIN1 Q05586 1/20 0.37
PARP1 P09874 1/20 0.37
SLC6A7 Q99884 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL5727281 0.73 MEN1 (0.50) S1PR5MAPTMEN1KMT2APOLB
SCHEMBL187309 0.70 MEN1 (0.50) MAPTMEN1KMT2APOLBHTT
SCHEMBL4813515 0.65 CHRM4 (0.58) MEN1KMT2AHTR2C
SCHEMBL27560417 0.63 PTPN1 (0.59) S1PR5MAPTMEN1KMT2AHTT
SCHEMBL10622571 0.63 HTR2C (0.44) MAPTPARP10PARP11HTR2C
SCHEMBL9585140 0.63 HTR2C (0.51) MAPTPARP10PARP11MEN1KMT2A
SCHEMBL1263144 0.63 TSHR (0.58) HTR2CKIF11
SCHEMBL29678302 0.63 TSHR (0.58) HTR2CKIF11
SCHEMBL2379125 0.62 CES2 (0.65) POLBLMNA
SCHEMBL31016229 0.62 CES2 (0.65) POLBLMNA

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-0415030-A2 1-Substituted-1,2-dihydro-4-[(substituted)-phenyl]imidazo-[1,5-A]pyrimidine-8-carbonitriles AMERICAN CYANAMID COMPANY (US) 1991-03-06 EP disclosed