SCHEMBL3625895

SCHEMBL3625895

CCC1C=Cc2ccccc2N1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 8/20 0.36
MEN1 O00255 7/20 0.36
MAPT P10636 7/20 0.36
P2RX4 Q99571 4/20 0.36
P2RX1 P51575 3/20 0.36
P2RX3 P56373 3/20 0.36
P2RX7 Q99572 2/20 0.36
PTBP1 P26599 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 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
SCHEMBL22202241 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL4595897 0.80 KMT2A (0.47) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL28886571 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL26629588 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL11792980 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
Iodide SCHEMBL27570286 0.79 KMT2A (0.46) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL7528727 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL19261265 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL7528724 0.75 SMN1; SMN2 (0.59) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR
SCHEMBL11695990 0.75 P2RX4 (0.40) SMN1; SMN2MAPK1ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977545-B1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2005-02-16 EP claimed
EP-1037586-B1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2004-12-22 EP claimed
EP-2242823-A1 METHOD FOR PREPARING A LUBRICATING COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2010-10-27 EP disclosed
WO-2009090238-A1 METHOD FOR PREPARING A LUBRICATING COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2009-07-23 WO disclosed