SCHEMBL20071956

SCHEMBL20071956

c1ccc2c(c1)N(c1ccc3c4ccccc4c4ccccc4c3c1)C(C1N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3N1c1ccc3c4ccccc4c4ccccc4c3c1)N2c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPRT1 P00492 3/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20071979 0.82 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19HPRT1TDP1
SCHEMBL20071762 0.81 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19HPRT1TDP1
SCHEMBL17915800 0.76 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HPRT1TDP1
SCHEMBL17786071 0.75 HSP90AA1 (0.46) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL20071959 0.73 HSP90AA1 (0.40) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL20072021 0.73 CYP1A2 (0.49) CYP1A2TDP1
SCHEMBL19343023 0.72 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19HPRT1TDP1
SCHEMBL17364348 0.72 GAA (0.41) CYP1A2CYP2C9CYP2C19
SCHEMBL17915739 0.71 MAPK1 (0.38) CYP1A2CYP2C9CYP2C19HPRT1
SCHEMBL17915768 0.71 MAPK1 (0.38) CYP1A2CYP2C9CYP2C19HPRT1

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
US-10541260-B2 Organic photoelectric conversion element, optical area sensor, imaging device, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-01-21 US disclosed
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed