SCHEMBL6970248

SCHEMBL6970248

Clc1cccc(Cl)c1C1=NOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.40
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CYP2A6 P11509 1/20 0.31
CYP2A13 Q16696 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL28557855 0.88 TSHR (0.36) CRBNKDM4ELMNAKMT2ATSHR
SCHEMBL30480733 0.84 MAPT (0.33) CRBNRAB9AKDM4ESMN1; SMN2KMT2A
SCHEMBL6982039 0.84 MAPT (0.33) CRBNRAB9AKDM4ESMN1; SMN2KMT2A
SCHEMBL29899213 0.72 CHRNB4 (0.51) RAB9ASMN1; SMN2MAPTHPGDTSHR
SCHEMBL700713 0.71 CD44 (0.39) KDM4ETDP1TSHR
SCHEMBL10343777 0.69
SCHEMBL28429620 0.69 ALDH1A1 (0.36)
SCHEMBL570014 0.68 CHRNB4 (0.42) RAB9AKDM4ELMNASMN1; SMN2TDP1
SCHEMBL10748015 0.68 NPC1 (0.30)
SCHEMBL29899212 0.68 HTR2B (0.40) CRBNRAB9AKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018193387-A1 HETEROCYCLIC COMPOUNDS WITH MICROBIOCIDAL PROPERTIES PI INDUSTRIES LTD. (IN) 2018-10-25 WO claimed
EP-0966452-B1 PROCESS FOR PREPARING SULPHUROUS 2-CHLORO-3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOIC ACIDS BASF AG (DE) 2003-05-02 EP claimed
US-6124469-A Process for preparing sulphurous 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-benzoic acids BASF AKTIENGESELLSCHAFT (DE) 2000-09-26 US claimed
EP-0966452-B1 PROCESS FOR PREPARING SULPHUROUS 2-CHLORO-3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOIC ACIDS BASF AG (DE) 2003-05-02 EP disclosed
US-6124469-A Process for preparing sulphurous 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-benzoic acids BASF AKTIENGESELLSCHAFT (DE) 2000-09-26 US disclosed