SCHEMBL20726532

SCHEMBL20726532

CNc1cc(C)ccc1N=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.39
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL5478505 0.81 PRKCI (0.31) —
SCHEMBL5477711 0.79 PRKCI (0.31) —
SCHEMBL21698312 0.78 CXCR2 (0.48) GAAHPGDNPC1RAB9AKDM4E
SCHEMBL5703630 0.78 NPC1 (0.33) NPC1RAB9ASIGMAR1POLBMAPT
SCHEMBL15291795 0.77 NPC1 (0.52) GAAHPGDNPC1RAB9ASIGMAR1
SCHEMBL22791425 0.75 GAA (0.37) GAAHPGDNPC1RAB9ACYP1A2
SCHEMBL8342155 0.75 GAA (0.37) GAAHPGDNPC1RAB9ACYP1A2
SCHEMBL25851108 0.75 SIGMAR1 (0.43) GAAHPGDRAB9ASIGMAR1KDM4E
SCHEMBL10284425 0.75 GAA (0.41) GAAHPGDNPC1RAB9ACYP1A2
SCHEMBL15919036 0.73 ALDH1A1 (0.48) GAANPC1RAB9AKDM4EALDH1A1

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
EP-3442045-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR BATTERY MODULE AND SENSOR PROVIDED WITH SAME Sumitomo Chemical Company, Limited (JP) 2019-02-13 — — EP disclosed
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