SCHEMBL9770501

SCHEMBL9770501

OC1c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.46
NR1H3 Q13133 4/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPN1 P18031 2/20 0.41
NR3C1 P04150 2/20 0.39
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.37
DYRK1A Q13627 1/20 0.36
CETP P11597 1/20 0.36
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9770376 0.78 ALDH1A1 (0.45) CRHBPCRHR2CYP2C19CYP1A2MAPK1
SCHEMBL12951101 0.74 CRHBP (0.46) NR1H2NR1H3CRHBPCRHR2CYP2C19
Hydrochloric Acid SCHEMBL28058663 0.73 CYP2C19 (0.42) NR1H2NR1H3CRHBPCRHR2CYP2C19
SCHEMBL10974928 0.71 CRHBP (0.68) NR1H2NR1H3CRHBPCRHR2CYP2C19
SCHEMBL2960872 0.69 CYP2C19 (0.78) NR1H2NR1H3CRHBPCRHR2CYP2C19
SCHEMBL20370919 0.68 CYP2C19 (0.50) NR1H2NR1H3CRHBPCRHR2CYP2C19
SCHEMBL5526151 0.68 PDK2 (0.50) CYP2C19MAPK1TSHRDYRK1AMEN1
SCHEMBL1672672 0.67 CRHBP (0.58) NR1H2NR1H3CRHBPCRHR2CYP2C19
SCHEMBL10938597 0.66 CRHBP (0.61) NR1H2NR1H3CRHBPCRHR2CYP2C19
SCHEMBL18385982 0.65 HTR2B (0.50) CYP2C19DYRK1AMEN1KMT2A

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-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed