SCHEMBL9327401

SCHEMBL9327401

Cc1nc(C(=O)O)c(C(=O)O)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HPGD P15428 2/20 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
SCHEMBL12758040 0.81 PDE10A (0.38) PDE10AALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL16806284 0.81 PDE10A (0.47) PDE10AALDH1A1KMT2AKDM4EMEN1
SCHEMBL27510170 0.81 HCAR2 (0.41) PDE10AALDH1A1KMT2AKDM4EMEN1
SCHEMBL31436370 0.78 HCAR2 (0.41) PDE10AALDH1A1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL11596190 0.78 CA12 (0.41) ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2
SCHEMBL13788780 0.77 PDE10A (0.36) PDE10AALDH1A1SMN1; SMN2HCAR2TSHR
SCHEMBL15316167 0.77 PDE10A (0.44) PDE10AALDH1A1KMT2AKDM4EMEN1
SCHEMBL29102125 0.77 PDE10A (0.34) PDE10AALDH1A1KMT2AKDM4EMEN1
SCHEMBL11782605 0.76 PDE10A (0.43) PDE10AALDH1A1KMT2AKDM4EMEN1
SCHEMBL12257175 0.76 TDP1 (0.39) PDE10AALDH1A1KMT2AKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114904474-B Device and method for reacting diethyl 5-bromomethylpyridine-2, 3-dicarboxylic acid 内蒙古新农基科技有限公司 2024-02-09 CN claimed
CN-117024406-B Synthesis method of imazethapyr 江苏省农用激素工程技术研究中心有限公司 2026-03-06 CN disclosed
CN-118047751-A Preparation method of imazethapyr 江苏省农用激素工程技术研究中心有限公司 2024-05-17 CN disclosed
US-5288866-A Chemical intermediates in the preparation of purity herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-22 US disclosed
US-4259527-A OXIDATION OF SECONDARY ALCOHOLS TO KETONES WITH HYDROGEN PEROXIDE ALLIED CHEMICAL CORPORATION (US) 1981-03-31 US disclosed
US-4171313-A OF ALICYCLIC KETONES TO LACTONES, W-HYDROXY ACIDS AND ESTERS USING HYDROGEN PEROXIDE AS AN OXIDIZING AGENT ALLIED CHEMICAL CORPORATION (US) 1979-10-16 US disclosed