SCHEMBL29648809

SCHEMBL29648809

O=C=Nc1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL1950281 1.00 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL326586 0.85 GABRA1 (0.56) GABRA1GABRB2MEN1KMT2ATDP1
SCHEMBL162206 0.85 GABRA1 (0.50) GABRA1GABRB2TDP1MAPK1CYP3A4
SCHEMBL158972 0.80 GABRA1 (0.46) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL29812934 0.80 GABRA1 (0.46) GABRA1GABRB2MEN1KMT2AGAA
SCHEMBL3635498 0.79 GABRA1 (0.50) GABRA1GABRB2MEN1KMT2ATDP1
SCHEMBL462306 0.78 CYP3A4 (0.52) GABRA1GABRB2MEN1KMT2ATDP1
SCHEMBL30625397 0.78 CYP3A4 (0.52) GABRA1GABRB2TDP1CYP3A4ALDH1A1
SCHEMBL9630070 0.78 CYP3A4 (0.52) GABRA1GABRB2TDP1CYP3A4ALDH1A1
SCHEMBL10614854 0.77 GABRA1 (0.75) GABRA1GABRB2TAAR1CYP3A4ALDH1A1

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-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
EP-3997149-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 EP disclosed