SCHEMBL26042044

SCHEMBL26042044

CC(Cc1ccc(C(C)(C)C)cc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL1944199 0.82 CYP1A2 (0.55) L3MBTL1LMNASMN1; SMN2
SCHEMBL14032710 0.81 ESR1 (0.61) RAB9ASMN1; SMN2CYP19A1
SCHEMBL21012060 0.81 ALDH1A1 (0.38) L3MBTL1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL18522503 0.81 ALDH1A1 (0.38) L3MBTL1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL5177436 0.78 EPHX1 (0.49) KIF11RAB9ANPC1ALDH1A1HTT
SCHEMBL9502121 0.74 KIF11 (0.39) KIF11RAB9ANPC1L3MBTL1HRH4
SCHEMBL22857856 0.74 CYP3A4 (0.39) HRH4HRH3CYP19A1
SCHEMBL20968027 0.74 SMN1; SMN2 (0.45) L3MBTL1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL11396984 0.74 ESR1 (0.48) RAB9ANPC1TP53TSHRALDH1A1
SCHEMBL22197081 0.73 KCNA5 (0.43) L3MBTL1TSHRALDH1A1HTTLMNA

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-2023158795-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed