SCHEMBL22794232

SCHEMBL22794232

CCCCCCCc1cn(CC)nn1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.65
HRH4 Q9H3N8 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
GGPS1 O95749 2/20 0.55
GBA1 P04062 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL22701235 1.00 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL25836828 1.00 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL3546675 1.00 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL25837226 1.00 CYP19A1 (0.65) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL3549774 0.98 CYP19A1 (0.62) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL5021080 0.92 L3MBTL1 (0.56) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL14982736 0.88 CYP19A1 (0.50) CYP19A1HRH4HRH3GGPS1GBA1
SCHEMBL24675720 0.87 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL21318217 0.87 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL9926292 0.87 CYP19A1 (0.63) CYP19A1HRH4HRH3GBA1EPHX2

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-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed