SCHEMBL30838434

SCHEMBL30838434

O=[N+]([O-])c1cc(Br)ccc1-c1cn(-c2ccccc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ S100A4 P26447 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL21670811 1.00 KDM4E (0.41) KDM4EPOLBCTDSP1LMNAS100A4
SCHEMBL30838436 0.90 KDM4E (0.41) KDM4EPOLBCTDSP1LMNAS100A4
SCHEMBL21670813 0.90 KDM4E (0.41) KDM4EPOLBCTDSP1LMNAS100A4
SCHEMBL15114213 0.84 ALDH1A1 (0.47) KDM4EPOLBCTDSP1LMNANR4A2
SCHEMBL19074304 0.82 CCNE2 (0.46) LMNAS100A4TRPV1MAPT
SCHEMBL21670819 0.78 KDM4E (0.41) KDM4EPOLBCTDSP1LMNAS100A4
SCHEMBL30838431 0.78 KDM4E (0.41) KDM4EPOLBCTDSP1LMNAS100A4
SCHEMBL15114144 0.77 ALDH1A1 (0.47) KDM4EPOLBCTDSP1LMNAFGFR1
SCHEMBL15594724 0.76 GABRA1 (0.40) CTDSP1LMNAS100A4TRPV1GABRP
SCHEMBL15791109 0.76 TDP1 (0.50) POLBLMNAS100A4TRPV1GABRP

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
CN-110818717-B Organic electroluminescent device and condensed cyclic compound for organic electroluminescent device 三星显示有限公司 2024-03-26 — — CN disclosed
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