SCHEMBL10604244

SCHEMBL10604244

CCCCc1cnc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.54
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
NPC1 O15118 6/20 0.43
NFKB1 P19838 4/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43

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
SCHEMBL10602210 0.98 RARB (0.52) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8332757 0.95 RARB (0.59) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10602751 0.94 RARB (0.62) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10603518 0.94 RARB (0.58) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10605932 0.93 RARB (0.60) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9351455 0.90 CTSS (0.46) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10872765 0.89 RARB (0.54) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9348005 0.89 CTSS (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10611816 0.88 MAPT (0.59) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL27471980 0.86 RARB (0.55) RARBRAB9ASMN1; SMN2MAPTKDM4E

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-0193191-B1 PYRIMIDINE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1989-09-13 EP disclosed
US-4684476-A LOW VOLTAGE CHISSO CORPORATION (JP) 1987-08-04 US disclosed