SCHEMBL11209758

SCHEMBL11209758

CCCCOc1ccc(CCN(CCC#N)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
LTA4H P09960 3/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.42
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL11209028 0.88 KCNH2 (0.41) BCHEKCNH2
SCHEMBL11213571 0.84 KCNH2 (0.47) LTA4HKCNH2CYP1A2CYP2D6CYP2C9
SCHEMBL8055910 0.81 MEN1 (0.47) CYP2C9CYP2C19
SCHEMBL11212081 0.80 CYP2C19 (0.44) TDP1L3MBTL1CYP2C19
SCHEMBL11215078 0.80 ALDH1A1 (0.45) LMNASMN1; SMN2LTA4HHTT
SCHEMBL9323694 0.79 HSD17B10 (0.44) LMNAHPGDTDP1MAPT
SCHEMBL11209610 0.79 DRD2 (0.42) LMNAHPGDCCR6SMN1; SMN2TDP1
SCHEMBL11208914 0.77 ALDH1A1 (0.41) LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL10491085 0.77 NPC1 (0.43) KCNH2
SCHEMBL10491081 0.77 NPC1 (0.43) KCNH2

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed