SCHEMBL20062962

SCHEMBL20062962

c1csc(N2C(=C3N(c4cccs4)c4ccccc4N3c3cccs3)N(c3cccs3)c3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 3/20 0.31
DRD4 P21917 3/20 0.31
DRD3 P35462 2/20 0.31
HPGD P15428 2/20 0.31
FBP1 P09467 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 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
SCHEMBL13296023 0.81 MAOA (0.42) TLR9NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31314498 0.77 MAOA (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2499041 0.77 MAOA (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20072070 0.76 ALDH1A1 (0.33) NPC1RAB9ASMN1; SMN2MAPTCYP2C19
SCHEMBL19603574 0.75 P2RX4 (0.39) SMN1; SMN2MAPTHPGDNPSR1TP53
SCHEMBL12190940 0.72 RXFP1 (0.42) MAPTPOLBTP53MEN1KMT2A
SCHEMBL19684256 0.72 EGLN1 (0.33) EGLN1
SCHEMBL19603618 0.72 MAPT (0.43) NPC1RAB9AMAPTCYP2C19EGLN1
SCHEMBL606359 0.70 KMT2A (0.49) MAPTPOLBALDH1A1HPGDKDM4E
SCHEMBL31231930 0.70 KMT2A (0.49) MAPTPOLBALDH1A1HPGDKDM4E

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