SCHEMBL14153243

SCHEMBL14153243

N/C(=N\O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
KDM1A O60341 4/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN1 P18031 1/20 0.41
ANPEP P15144 1/20 0.41
GRIN2B Q13224 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
PLAU P00749 1/20 0.40
CHEK2 O96017 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
SCHEMBL103111 0.93 KDM1A (0.50) ALOX5KDM1ARAB9ANPC1PKM
SCHEMBL103112 0.93 KDM1A (0.50) ALOX5KDM1ARAB9ANPC1PKM
SCHEMBL283942 0.93 KDM1A (0.50) ALOX5KDM1ARAB9ANPC1PKM
SCHEMBL10092621 0.89 KDM1A (0.54) ALOX5KDM1ARAB9ANPC1GAA
SCHEMBL15913193 0.82 FLT3 (0.43) ALOX5KDM1ARAB9ANPC1PKM
SCHEMBL14060096 0.82 FLT3 (0.43) ALOX5KDM1ARAB9ANPC1PKM
SCHEMBL14153055 0.81 TAAR1 (0.55) ALOX5KDM1ARAB9APKMGAA
SCHEMBL21215222 0.81 KDM1A (0.60) KDM1ARAB9ANPC1GAALMNA
SCHEMBL1009423 0.80 GRIN2B (0.58) BCL2L1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL1009422 0.80 GRIN2B (0.58) BCL2L1KDM1ARAB9ANPC1SMN1; SMN2

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
WO-2012162635-A1 METABOTROPIC GLUTAMATE RECEPTORS 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-11-29 WO disclosed