SCHEMBL28467660

SCHEMBL28467660

O=C(O)c1cc(C(=O)O)nc(C(=O)O)c1.[LiH]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.95
ALOX15 P16050 2/20 0.95
HIF1A Q16665 1/20 0.95
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM6B O15054 1/20 0.52
TET3 O43151 1/20 0.52
KDM4A O75164 1/20 0.52
BBOX1 O75936 1/20 0.52
KDM5A P29375 1/20 0.52
KDM5C P41229 1/20 0.52
ASPH Q12797 1/20 0.52
KDM4D Q6B0I6 1/20 0.52
TET2 Q6N021 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.52
KDM7A Q6ZMT4 1/20 0.52
KDM8 Q8N371 1/20 0.52
TET1 Q8NFU7 1/20 0.52
EGLN2 Q96KS0 1/20 0.52

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
SCHEMBL336311 0.97 TSHR (1.00) TSHRALOX15HIF1AKDM4EALDH1A1
Lithium SCHEMBL30546689 0.95 TSHR (0.95) TSHRALOX15HIF1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29127739 0.95 TSHR (0.95) TSHRALOX15HIF1AKDM4EALDH1A1
SCHEMBL27763948 0.95 TSHR (0.95) TSHRALOX15HIF1AKDM4EALDH1A1
Nitrous Acid SCHEMBL28564845 0.88 TSHR (0.82) TSHRALOX15HIF1AKDM4EALDH1A1
SCHEMBL25637880 0.86 ALOX15 (0.78) TSHRALOX15HIF1AKDM4EALDH1A1
SCHEMBL3125361 0.83 ALOX15 (0.74) TSHRALOX15HIF1AKDM4EALDH1A1
SCHEMBL21199852 0.81 TSHR (0.71) TSHRALOX15HIF1AKDM4EALDH1A1
SCHEMBL3686639 0.81 ALOX15 (0.71) TSHRALOX15HIF1AKDM4EALDH1A1
SCHEMBL11956572 0.81 TSHR (0.69) TSHRALOX15HIF1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111558395-A Bimetallic catalyst for methanol carbonylation reaction, preparation method and application thereof 江苏索普化工股份有限公司 2020-08-21 CN disclosed