SCHEMBL9819152

SCHEMBL9819152

CCCCCCN1C=NCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GNAI3 P08754 3/20 0.35
GNAO1 P09471 3/20 0.35
GNAI1 P63096 3/20 0.35
TBXAS1 P24557 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 2/20 0.33
LTA4H P09960 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL11120717 1.00 ALDH1A1 (0.38) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL217495 0.92 CYP1A2 (0.36) ALDH1A1CYP1A2CYP2D6
SCHEMBL750715 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL9814327 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL1138502 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL11652283 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL2952614 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL11250645 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL21049558 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1
SCHEMBL108012 0.89 GNAI3 (0.37) ALDH1A1GNAI3GNAO1GNAI1TBXAS1

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
WO-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed
EP-3505523-A1 NEW RUBBER MIXTURES ARLANXEO Deutschland GmbH (DE) 2019-07-03 EP disclosed
EP-0309844-B1 PROCESS FOR THE PREPARATION OF CHLOROTHIOL FORMIATES BASF Aktiengesellschaft (DE) 1991-12-04 EP disclosed
EP-0309844-A1 Process for the preparation of chlorothiol formiates BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed