SCHEMBL28484391

SCHEMBL28484391

O=[N+]([O-])c1cc(Cl)c2[nH]c3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.54
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CCNA1 P78396 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
CTSL P07711 2/20 0.52
CTSV O60911 1/20 0.52
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49

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
SCHEMBL9061681 0.84 ALDH1A1 (0.57) CTSLPARP1ALDH1A1MAPTLMNA
SCHEMBL10355842 0.82 MAPT (0.54) CDK2CCNB2CDK1CCNB1CCNA2
SCHEMBL28173807 0.79 IDO1 (0.52) CDK2CCNB2CDK1CCNB1CCNA2
SCHEMBL28168194 0.79 MAPT (0.50) CDK2CCNB2CDK1CCNB1CCNA2
SCHEMBL28130507 0.78 PARP1 (0.58) CDK2CCNB2CDK1CCNB1CCNA2
SCHEMBL28484392 0.76 CHUK (0.67) CDK2CCNB2CDK1CCNB1CCNA2
SCHEMBL151534 0.76 CTSV (0.79) CDK2CTSLCTSVGABRPGABRD
SCHEMBL30272743 0.76 CTSV (0.79) CDK2CTSLCTSVGABRPGABRD
SCHEMBL30272742 0.76 CTSV (0.79) CDK2CTSLCTSVGABRPGABRD
SCHEMBL30272741 0.76 CTSV (0.79) CDK2CTSLCTSVGABRPGABRD

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
CN-111909188-B Compound, luminescent material and organic electroluminescent device 烟台显华化工科技有限公司 2023-07-25 CN disclosed
CN-111909188-A Compound, luminescent material and organic electroluminescent device 烟台显华化工科技有限公司 2020-11-10 CN disclosed