SCHEMBL24019248

SCHEMBL24019248

Cc1ccc2c(c1)CCC(C)N2C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.48
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
BRD4 O60885 1/20 0.37
AADAT Q8N5Z0 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL20370869 0.81 AADAT (0.45) SRD5A1NOTUMALDH1A1KMT2ABRD4
SCHEMBL6578816 0.81 PDK1 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL13162977 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1HTT
SCHEMBL22815961 0.81 PDK1 (0.50) SRD5A1ALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL12500832 0.79 ATAD2 (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL10972417 0.77 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1HTT
SCHEMBL27509009 0.77 ALDH1A1 (0.36) ALDH1A1NPC1HTTRAB9APDK1
SCHEMBL20870184 0.76 PDK1 (0.40) ALDH1A1MEN1KMT2ANPC1HTT
SCHEMBL16590074 0.76 NOTUM (0.59) SRD5A1NOTUMALDH1A1MEN1KMT2A
SCHEMBL26079007 0.76 NOTUM (0.59) SRD5A1NOTUMALDH1A1MEN1KMT2A

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-11174431-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-11-16 US disclosed