SCHEMBL2865108

SCHEMBL2865108

C(=C/c1cnc(/C=C/c2ccccc2)cn1)\c1ccccc1.O=C(O)/C=C/c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
JUN P05412 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A1 P04798 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP1B1 Q16678 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
HDAC3 O15379 1/20 0.54
TNKS O95271 1/20 0.54
HDAC4 P56524 1/20 0.54

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
SCHEMBL8801611 0.90 RAB9A (0.59) CYP11B1CYP11B2RAB9ANPC1KDM4E
SCHEMBL6642060 0.90 RAB9A (0.59) CYP11B1CYP11B2RAB9ANPC1KDM4E
SCHEMBL6642064 0.90 RAB9A (0.59) CYP11B1CYP11B2RAB9ANPC1KDM4E
SCHEMBL755249 0.86 RAB9A (0.76) CYP11B1CYP11B2RAB9ANPC1KDM4E
SCHEMBL29416684 0.86 RAB9A (0.76) CYP11B1CYP11B2RAB9ANPC1KDM4E
SCHEMBL334615 0.86 RAB9A (0.76) CYP11B1CYP11B2RAB9ANPC1KDM4E
SCHEMBL334614 0.86 RAB9A (0.76) CYP11B1CYP11B2RAB9ANPC1KDM4E
SCHEMBL10898888 0.85 RAB9A (0.73) CYP11B1CYP11B2RAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL27850886 0.85 RAB9A (0.73) CYP11B1CYP11B2RAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL10810828 0.85 RAB9A (0.73) CYP11B1CYP11B2RAB9ANPC1KDM4E

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-2010025853-A1 MOLECULARLY IMPRINTED POLYMER (MIP) CHIP SENSOR, USE THEREOF, AND ANALYTICAL DETECTION METHOD KIST-EUROPE FORSCHUNGSGESELLSCHAFT MBH (DE) 2010-03-11 WO claimed