SCHEMBL25106540

SCHEMBL25106540

CNc1cccc(Nc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
KIF11 P52732 4/20 0.40
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CCR4 P51679 1/20 0.35
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 2/20 0.34

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
SCHEMBL23908284 0.89 CNR1 (0.46) CNR1KIF11RAB9ANPC1ALDH1A1
SCHEMBL24178525 0.89 RAB9A (0.42) CNR1KIF11RAB9ANPC1ALDH1A1
SCHEMBL25705736 0.81 RAB9A (0.46) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL24948445 0.80 RAB9A (0.39) CNR1RAB9ANPC1ALDH1A1GLA
SCHEMBL29312316 0.78 RAB9A (0.49) CNR1RAB9ANPC1ALDH1A1GLA
SCHEMBL22819597 0.77 ABCG2 (0.45) CNR1KIF11RAB9ANPC1ALDH1A1
SCHEMBL23589544 0.75 AKR1C3 (0.44) CNR1KIF11RAB9ANPC1ALDH1A1
SCHEMBL5358209 0.74 KIF11 (0.44) KIF11AKR1C3AKR1C2ABCG2CCR4
SCHEMBL28424696 0.74 KIF11 (0.44) KIF11RAB9ANPC1ALDH1A1AKR1C3
SCHEMBL17546531 0.74 AKR1C3 (0.45) KIF11RAB9ANPC1ALDH1A1GLA

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-20230069900-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-03-09 US disclosed