SCHEMBL6587950

SCHEMBL6587950

CNc1nc2ccc(N)cc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 3/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
IL6 P05231 1/20 0.44
STAT3 P40763 1/20 0.44
USP2 O75604 1/20 0.44
MAPK10 P53779 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 4/20 0.40
POLB P06746 2/20 0.40
CASP6 P55212 2/20 0.40
PIK3CG P48736 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
SCHEMBL14099928 0.86 IL6 (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11814248 0.79 IL6 (0.59) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13201517 0.79 ELANE (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL18028834 0.79 HCRTR1 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL17469473 0.79 S1PR3 (0.60) RAB9AMAPTPIK3CGS1PR3
SCHEMBL29236673 0.78 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19102856 0.76 CSNK1D (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL615340 0.76 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4390043 0.75 PIK3CG (0.66) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14075973 0.74 RAB9A (0.74) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118186779-A Sizing agent for enhancing PBO fiber composite material interface, and preparation method and application thereof 中国科学院化学研究所 2024-06-14 CN 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
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed