SCHEMBL29537333

SCHEMBL29537333

O=C=Nc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 3/20 0.41
GSK3B P49841 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL93270 1.00 CYP3A4 (0.52) CYP3A4HTR3EHTR3BHTR3AHTR3D
Methane SCHEMBL27995664 0.98 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9078903 0.98 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9078906 0.98 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL6999020 0.96 CYP3A4 (0.48) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7529492 0.90 CYP3A4 (0.48) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL11869772 0.88 HTR3E (0.55) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL9795278 0.87 CYP3A4 (0.41) CYP3A4HTR3EHTR3BHTR3AHTR3D
Carbamic Acid SCHEMBL11869786 0.87 HTR3E (0.53) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL17847486 0.83 CYP3A4 (0.45) CYP3A4HTR3EHTR3BHTR3AHTR3D

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 8 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
EP-4638427-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER Université Côte d'Azur (FR) 2025-10-29 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
WO-2024133857-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITE COTE D'AZUR (FR) 2024-06-27 WO disclosed
EP-3887477-B1 LUMINESCENT MATERIALS INCLUDING A LUMINESCENT BENZOTHIAZOLE, ARTICLES INCLUDING A SECURITY FEATURE, AND METHODS OF FORMING LUMINESCENT PARTICLES INCLUDING A LUMINESCENT BENZOTHIAZOLE HONEYWELL INT INC (US) 2024-01-03 EP disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 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
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed