SCHEMBL8428720

SCHEMBL8428720

CCCCCCCCc1ccc2sc(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
STAT3 P40763 1/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
SHBG P04278 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53

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
SCHEMBL8218536 0.90 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2STAT3
SCHEMBL8554888 0.90 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2STAT3
SCHEMBL11192515 0.86 RAB9A (0.45) NPC1RAB9AMAPTSMN1; SMN2STAT3
SCHEMBL5831652 0.85 ALDH1A1 (0.54) NPC1RAB9AMAPTSMN1; SMN2STAT3
SCHEMBL11192289 0.84 RAB9A (0.46) NPC1RAB9AMAPTSMN1; SMN2STAT3
SCHEMBL10000258 0.84 ATP4A (0.56) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL16215333 0.82 KDM4E (0.41) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8553099 0.81 APP (0.51) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8554845 0.81 APP (0.51) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5946763 0.81 APP (0.51) NPC1RAB9AMAPTSMN1; SMN2KDM4E

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
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed