SCHEMBL5318237

SCHEMBL5318237

FC(F)(F)Oc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.63
TRPV1 Q8NER1 1/20 0.45
IMPDH2 P12268 3/20 0.45
ROCK2 O75116 1/20 0.44
TNIK Q9UKE5 1/20 0.44
TRPA1 O75762 1/20 0.44
ABL1 P00519 4/20 0.43
BCR P11274 3/20 0.43
KDR P35968 4/20 0.42
CDC7 O00311 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14466977 0.86 TRPV1 (0.61) SMOTRPV1IMPDH2KDRCDC7
SCHEMBL5318416 0.86 TNIK (0.60) IMPDH2ROCK2TNIKKDRFLT1
SCHEMBL5317585 0.85 KDM4E (0.46) SMOTRPV1IMPDH2ROCK2TNIK
SCHEMBL5335613 0.85 CDC7 (0.58) TRPV1IMPDH2ROCK2TNIKKDR
SCHEMBL5336680 0.82 IMPDH2 (0.59) IMPDH2KDRFLT1FLT4
SCHEMBL5316809 0.82 NOS1 (0.48) TRPV1IMPDH2ROCK2TNIKKDR
SCHEMBL5333205 0.82 IMPDH2 (0.53) IMPDH2ROCK2TNIKKDRCDC7
SCHEMBL5336433 0.82 MKNK1 (0.51) TRPV1IMPDH2ROCK2TNIKKDR
SCHEMBL5333863 0.82 VCP (0.58) IMPDH2ROCK2TNIKKDRCDC7
SCHEMBL5343891 0.82 VCP (0.58) IMPDH2ROCK2TNIKKDRCDC7

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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed