SCHEMBL7211103

SCHEMBL7211103

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1-c1nnn[nH]1.O=C=Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.36
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 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
SCHEMBL6772436 0.91 GPR35 (0.41) GPR35MAPTHTTSMN1; SMN2MEN1
SCHEMBL31337191 0.91 GPR35 (0.41) GPR35MAPTHTTSMN1; SMN2MEN1
SCHEMBL30192068 0.82 KCNMA1 (0.36) GPR35
SCHEMBL6782022 0.81 GPR35 (0.34) GPR35MAPTHTTSMN1; SMN2MEN1
SCHEMBL31337135 0.81 GPR35 (0.34) GPR35MAPTHTTSMN1; SMN2MEN1
SCHEMBL31344596 0.81 RORC (0.35) GPR35
SCHEMBL6776081 0.81 RORC (0.35) GPR35
SCHEMBL6781211 0.80 GPR35 (0.33) GPR35KMT2A
SCHEMBL31337247 0.80 CHEK2 (0.36) GPR35
SCHEMBL6775914 0.79 KIF11 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
EP-0977741-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-02-09 EP disclosed
WO-1998047879-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-10-29 WO disclosed