SCHEMBL11230722

SCHEMBL11230722

CCCCCCCCCCCCCCCCOc1cc(N)c(Cl)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
MAOA P21397 1/20 0.42
MCHR1 Q99705 2/20 0.41
TLR8 Q9NR97 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8002412 0.88 CSNK2A1 (0.46) MAOAMCHR1TLR8CYP1A2CYP2C9
SCHEMBL8895321 0.87 MAOA (0.54) MAOATLR8CYP1A2CYP2C9CYP2C19
SCHEMBL11158526 0.87 MAOA (0.54) MAOATLR8CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11517209 0.85 MAOA (0.52) MAOATLR8CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11514450 0.85 MAOA (0.52) MAOATLR8CYP1A2CYP2C9CYP2C19
SCHEMBL27224315 0.81 ESR1 (0.44) ESR1MCHR1TLR8CYP1A2CYP2C9
SCHEMBL4429554 0.81 ESR1 (0.44) ESR1MCHR1TLR8CYP1A2CYP2C9
SCHEMBL12759053 0.81 NPC1 (0.47) CYP1A2CYP2C19NPC1TSHRSMN1; SMN2
SCHEMBL7112502 0.81 ESR1 (0.51) ESR1MCHR1TLR8CYP1A2CYP2C9
SCHEMBL15200209 0.80 ESR1 (0.51) ESR1MCHR1TLR8TSHRTHRA

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-4340661-A MONOAZO DYES FUJI PHOTO FILM CO., LTD. (JP) 1982-07-20 US disclosed