SCHEMBL9601688

SCHEMBL9601688

CCCCCCCCOc1cc2ccccc2c(C#N)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.49
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C9 P11712 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
HTR1B P28222 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
MCHR1 Q99705 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NR1I2 O75469 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
SCHEMBL6915133 0.84 GAA (0.51) TLR8CNR1CNR2ALDH1A1HPGD
SCHEMBL6917467 0.84 GAA (0.51) TLR8CNR1CNR2ALDH1A1HPGD
SCHEMBL6913432 0.83 GAA (0.52) TLR8CNR1CNR2ALDH1A1HPGD
SCHEMBL10829149 0.78 ALDH1A1 (0.55) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL9602680 0.77 MAPT (0.46) TLR8ALDH1A1HPGDGAATDP1
SCHEMBL346563 0.77 TLR8 (0.64) TLR8CNR1CNR2CYP2C9PPARG
SCHEMBL28891622 0.76 CNR1 (0.46) TLR8CNR1CNR2ALDH1A1HPGD
SCHEMBL16502323 0.76 FAAH (0.44) CNR1CNR2ALDH1A1HPGDFAAH
SCHEMBL28171463 0.75 TLR8 (0.46) TLR8ALDH1A1HPGDGAAMAPT
SCHEMBL26597967 0.75 MYB (0.40) TLR8CNR1CNR2ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313943-B1 1,2-NAPHTALOCYANINE NEAR-INFRARED ABSORBENT AND RECORDING/DISPLAY MATERIALS USING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-4960538-A LIGHT, WEATHER, THERMAL RESISTANCE MITSUI TOATSU CHEMICALS, INC (JP) 1990-10-02 US disclosed