SCHEMBL21784237

SCHEMBL21784237

N#Cc1ccc(-c2cccc3c2oc2c(-c4cccc(Cl)c4)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ NUDT1 P36639 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39

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
SCHEMBL23823574 0.84 GABRP (0.49) PRKDCGABRPGABRDGABRA1GABRB1
SCHEMBL24352226 0.82 KDM4E (0.43) PRKDCNUDT1GABRPGABRDGABRA1
SCHEMBL30709040 0.81 NUDT1 (0.45) PRKDCTDP1NUDT1ALOX5TSHR
SCHEMBL17703168 0.81 GABRP (0.47) PRKDCGABRPGABRDGABRA1GABRB1
SCHEMBL19372035 0.79 PRKDC (0.47) PRKDCTNKSALOX5TSHR
SCHEMBL21784235 0.78 PRKDC (0.47) PRKDCTNKSALOX5TSHRNPC1
SCHEMBL17297070 0.78 CLK4 (0.47) PRKDCALOX5ADORA2A
SCHEMBL16016622 0.77 ALOX5 (0.57) PRKDCTNKSALOX5ADORA2A
SCHEMBL29293557 0.77 CYP11B2 (0.59) PRKDC
SCHEMBL16908393 0.77 TAAR1 (0.53) TDP1GABRA1GABRG2GABRB3GABRA5

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
WO-2020045822-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 두산솔루스 주식회사 2020-03-05 — — WO disclosed
Send feedback