SCHEMBL21391268

SCHEMBL21391268

CCCCOc1ccc(CN)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CSNK2A1 P68400 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL508250 0.83 MAPT (0.49) MAPTCSNK2A1SMN1; SMN2GABRPGABRD
SCHEMBL16889139 0.82 RAB9A (0.42) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL16233092 0.82 PIK3CD (0.47) MAPTCSNK2A1HRH3KEAP1NFE2L2
Hydrochloric Acid SCHEMBL5010371 0.81 MAPT (0.47) MAPTCSNK2A1GABRPGABRDGABRA1
SCHEMBL12217658 0.81 HRH3 (0.37) CSNK2A1HRH3KEAP1NFE2L2
SCHEMBL9344173 0.81 MAPT (0.41) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL9388103 0.79 MAPT (0.44) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL507380 0.79 MCHR1 (0.39) CSNK2A1HRH3KEAP1NFE2L2
SCHEMBL3334395 0.78 KDM4E (0.53) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL30325064 0.78 PPARG (0.38) MAPTCSNK2A1HRH3

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-2019148055-A9 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-09-26 WO disclosed