SCHEMBL9585652

SCHEMBL9585652

O=C(NCCO)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
MAOB P27338 1/20 0.70
MEN1 O00255 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68
KMT2A Q03164 1/20 0.68
POLB P06746 1/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
MAPT P10636 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MCHR1 Q99705 1/20 0.60
GAA P10253 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL9584535 0.90 CYP1A2 (0.78) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL620074 0.89 POLB (0.66) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL7008066 0.85 HDAC3 (0.68) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL9491749 0.84 HDAC3 (0.76) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL11476769 0.84 CYP1A2 (0.70) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3363697 0.83 CYP1A2 (0.63) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL5656002 0.83 SMN1; SMN2 (0.58) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL29262685 0.82 CYP1A2 (0.68) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL6359975 0.82 CYP1A2 (0.68) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL3506361 0.82 MAOB (1.00) CYP1A2TSHRNFKB1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP disclosed
WO-2022053541-A1 COMPOUNDS FOR USE AS APPETITE SUPPRESSANT ERACAL THERAPEUTICS LTD. (CH) 2022-03-17 WO disclosed
WO-2022053541-A1 COMPOUNDS FOR USE AS APPETITE SUPPRESSANT ERACAL THERAPEUTICS LTD. (CH) 2022-03-17 WO disclosed
EP-3275440-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME National Center for Geriatrics and Gerontology (JP) 2018-01-31 EP disclosed
US-5238962-A Administering an antidepressants HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
US-4874857-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed