SCHEMBL29048847

SCHEMBL29048847

Nc1ccc(N)cc1.O=C(O)c1cocc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
THRB P10828 3/20 0.48
RECQL P46063 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
CASP7 P55210 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
APEX1 P27695 1/20 0.48
BLM P54132 1/20 0.48
MCL1 Q07820 1/20 0.48
TNF P01375 1/20 0.48
HSPD1 P10809 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL36897 0.84 ALDH1A1 (0.45) MAPTKDM4EALDH1A1ALOX15POLB
Hydrochloric Acid SCHEMBL7231265 0.82 ALDH1A1 (0.43) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL11574505 0.82 ALDH1A1 (0.43) MAPTKDM4EALDH1A1ALOX15POLB
Hydrochloric Acid SCHEMBL11203129 0.82 ALDH1A1 (0.43) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL638220 0.78
Phthalic Acid SCHEMBL5690459 0.78 ALDH1A1 (0.70) MAPTKDM4EALDH1A1ALOX15POLB
SCHEMBL11079971 0.78 LDHA (0.37) MAPTKMT2AKDM4EALDH1A1MEN1
Pyromellitic Acid SCHEMBL11365869 0.77 KMT2A (0.60) MAPTKMT2AKDM4EALDH1A1MEN1
Ethylene Glycol SCHEMBL25435561 0.75 LDHA (0.38) KMT2AKDM4EALDH1A1TDP1ALOX15
Phthalic Acid SCHEMBL9137413 0.75 ALDH1A1 (0.74) MAPTKMT2AKDM4EALDH1A1MEN1

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-116575138-A Preparation method of bio-based aromatic polyamide fiber 中科国生(杭州)科技有限公司 2023-08-11 CN disclosed