SCHEMBL801390

SCHEMBL801390

CCCCCCCCC1(CCCCCCC)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(CCCCCCCC)CCCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.35
CNR2 P34972 3/20 0.35
LMNA P02545 1/20 0.34
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP8 P22894 4/20 0.34
MMP13 P45452 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16663579 1.00 CNR1 (0.35) CNR1CNR2LMNAMMP2MMP9
SCHEMBL31013229 1.00 CNR1 (0.35) CNR1CNR2LMNAMMP2MMP9
SCHEMBL25785294 1.00 CNR1 (0.35) CNR1CNR2LMNAMMP2MMP9
SCHEMBL14374366 1.00 CNR1 (0.35) CNR1CNR2LMNAMMP2MMP9
SCHEMBL5021736 1.00 CNR1 (0.35) CNR1CNR2LMNAMMP2MMP9
SCHEMBL25473018 1.00 CNR1 (0.35) CNR1CNR2LMNAMMP2MMP9
SCHEMBL13708994 0.97 LMNA (0.36) CNR1CNR2LMNAMMP2MMP9
SCHEMBL197894 0.97 LMNA (0.36) CNR1CNR2LMNAMMP2MMP9
SCHEMBL196456 0.97 LMNA (0.36) CNR1CNR2LMNAMMP2MMP9
SCHEMBL13555215 0.97 LMNA (0.36) CNR1CNR2LMNAMMP2MMP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8398895-B2 Conjugated polymers and their use as organic semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-8398895-B2 Conjugated polymers and their use as organic semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-20120068121-A1 CONJUGATED POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-20120068121-A1 CONJUGATED POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
WO-2010136112-A1 CONJUGATED POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed