SCHEMBL27927276

SCHEMBL27927276

Nc1cc2c(Br)cccc2c(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NCF1 P14598 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ PIK3CA P42336 3/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MTOR P42345 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL27945701 0.83 HRH4 (0.64) KDM4ENCF1ALDH1A1HRH4POLB
SCHEMBL11275047 0.80 NCF1 (0.58) KDM4EMAPTNCF1ALDH1A1HPGD
SCHEMBL12701330 0.75 PTK2 (0.50) KDM4EMAPTALDH1A1HPGDPIK3CA
SCHEMBL2726482 0.72 HRH4 (0.50) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL11272318 0.70 KDM4E (0.59) KDM4EMAPTNCF1ALDH1A1HPGD
SCHEMBL12701060 0.70 KDM4E (0.54) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL11283343 0.69 NCF1 (0.50) KDM4EMAPTNCF1ALDH1A1HPGD
SCHEMBL29639090 0.69 HTR6 (0.51) KDM4EMAPTNCF1ALDH1A1HPGD
SCHEMBL17942737 0.69 ALDH1A1 (0.67) KDM4EMAPTNCF1ALDH1A1HPGD
SCHEMBL11739114 0.68 KDM4E (0.69) KDM4EMAPTNCF1ALDH1A1HPGD

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-103373971-A Urea compounds as protein kinase inhibitors NANJING SANHOME PHARMACEUTICAL CO LTD 2013-10-30 — — CN disclosed
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