SCHEMBL21732405

SCHEMBL21732405

N=C(/N=C(\N)c1ccc2c(c1)sc1ccccc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR3 P46089 1/20 0.40
F9 P00740 5/20 0.40
CYP1A2 P05177 1/20 0.39
F2 P00734 2/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 5/20 0.36
F10 P00742 5/20 0.36
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PKM P14618 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
BLM P54132 1/20 0.33
SLC9A1 P19634 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL24037103 0.88 F9 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22912384 0.83 F2 (0.41) RAB9AF2PLGPLAUF10
SCHEMBL21868232 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24886412 0.80 CYP1A2 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25894321 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22912425 0.78 F9 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24972852 0.78 CASP3 (0.47) ALDH1A1MAPTHPGDRAB9ACYP1A2
SCHEMBL17117709 0.76 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL27254640 0.76 HTR2B (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10252853 0.76 F2 (0.52) MAPTRAB9AF2F10F12

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
WO-2022139445-A1 ORGANIC ELECTRIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2022-06-30 WO disclosed
WO-2020036314-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed