SCHEMBL436969

SCHEMBL436969

Cc1cc(N)c2cc(F)cc(F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
NCF1 P14598 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL439735 0.78 NR4A2 (0.65) NR4A2NCF1TDP1KDM4EKMT2A
SCHEMBL7431819 0.77 MAPT (0.46) NR4A2TDP1KDM4EKMT2AMEN1
SCHEMBL21364351 0.77 KMT2A (0.40) TDP1KDM4EKMT2AMEN1HCRTR1
SCHEMBL6587566 0.77 KMT2A (0.43) TDP1KDM4EKMT2AMEN1HCRTR1
SCHEMBL441540 0.74 NR4A2 (0.51) NR4A2NCF1TDP1KDM4EKMT2A
SCHEMBL438849 0.74 NOS3 (0.41) HSD17B10PKMRAB9ANOS3NOS1
SCHEMBL437139 0.72 NCF1 (0.42) NR4A2NCF1KMT2AMEN1HSD17B10
SCHEMBL439684 0.72 NCF1 (0.59) NR4A2NCF1KMT2AMEN1HSD17B10
SCHEMBL436731 0.71 KDM4E (0.56) NR4A2NCF1TDP1KDM4EKMT2A
SCHEMBL6088636 0.69 CCR1 (0.52) TDP1KDM4EKMT2AMEN1HCRTR1

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed