SCHEMBL20062964

SCHEMBL20062964

Cc1ccc(N2C(=C3N(c4ccc(C)s4)c4ccccc4N3c3ccc(C)s3)N(c3ccc(C)s3)c3ccccc32)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
KMT2A Q03164 5/20 0.33
HPGD P15428 4/20 0.33
RAB9A P51151 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
NPC1 O15118 2/20 0.33
THRB P10828 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
PSMD14 O00487 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL20062965 0.82 TYMS (0.33) HPGDRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL20062959 0.82 PTGS1 (0.33) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL20072080 0.78 DRD2 (0.33) ALDH1A1MAPTKMT2AHPGDRAB9A
SCHEMBL23743459 0.76 TP53 (0.33) ALDH1A1MAPTTHRBDRD2DRD3
SCHEMBL20062962 0.65 TLR9 (0.34) ALDH1A1MAPTKMT2AHPGDRAB9A
SCHEMBL19343011 0.64 CYP2A6 (0.44) MGLL
SCHEMBL24715765 0.64
SCHEMBL20062956 0.63 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ARAB9ATDP1
SCHEMBL6535605 0.63 F10 (0.41) ALDH1A1MAPTKMT2AHPGDRAB9A
SCHEMBL14557129 0.62 CES1 (0.36) ALDH1A1MAPTKMT2ARAB9ANPC1

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-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed