SCHEMBL28217837

SCHEMBL28217837

OCc1nc2c(ccc3cccnc32)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
MMP2 P08253 3/20 0.44
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
TSHR P16473 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL27901048 0.80 LMNA (0.50) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL30447151 0.79 ALDH1A1 (0.47) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL21308996 0.77 CCR1 (0.50) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL30596581 0.77 CCR1 (0.50) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL9558125 0.76 KDM4E (0.47) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL16427120 0.75 CCR1 (0.61) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL20208381 0.74 LMNA (0.47) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL20208357 0.74 CCR1 (0.50) KDM4EMAPTLMNAMMP2CCR1
Phenanthroline SCHEMBL9275301 0.73 LMNA (0.76) KDM4EMAPTLMNAMMP2CCR1
SCHEMBL23239898 0.72 KDM4E (0.48) KDM4EMAPTLMNAMMP2CCR1

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-105646367-B Bipolar compound derived from cis-stilbene/fluorene spirochete 彩丰精技股份有限公司 2018-05-22 CN disclosed