SCHEMBL31300453

SCHEMBL31300453

Nc1ccc(-c2ccc(N)cc2C(=O)O)c(C(=O)O)c1.[Pd]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
MEN1 O00255 4/20 0.63
TDP1 Q9NUW8 4/20 0.63
HSD17B10 Q99714 4/20 0.63
THRB P10828 3/20 0.63
CYP3A4 P08684 3/20 0.63
RECQL P46063 2/20 0.63
USP2 O75604 2/20 0.63
MCL1 Q07820 2/20 0.63
ALOX15 P16050 2/20 0.63
CASP1 P29466 2/20 0.63
CASP7 P55210 2/20 0.63
POLB P06746 1/20 0.63
PKM P14618 1/20 0.63
APEX1 P27695 1/20 0.63
BLM P54132 1/20 0.63
TNF P01375 1/20 0.63

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
SCHEMBL713768 0.98 KDM4E (0.65) KDM4EKMT2AALDH1A1MAPTMEN1
Ammonia Solution, Strong SCHEMBL5267316 0.95 KDM4E (0.63) KDM4EKMT2AALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL8956634 0.95 KMT2A (0.69) KDM4EKMT2AALDH1A1MAPTMEN1
Water SCHEMBL28033077 0.95 KDM4E (0.63) KDM4EKMT2AALDH1A1MAPTMEN1
Terephthalamide SCHEMBL17097371 0.86 MAPT (0.53) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL15831194 0.86 MEN1 (0.53) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL4582858 0.85 HSD17B10 (0.58) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL2890556 0.84 FOLH1 (0.57) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL4583405 0.82 KMT2A (0.49) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL29364937 0.81 ALDH1A1 (0.68) KDM4EKMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264938-A Method for preparing plasticizer for automobile rubber shock pad 宁波博汇化工科技股份有限公司 2025-01-07 CN claimed
CN-119264938-A Method for preparing plasticizer for automobile rubber shock pad 宁波博汇化工科技股份有限公司 2025-01-07 CN disclosed
CN-119264938-A Method for preparing plasticizer for automobile rubber shock pad 宁波博汇化工科技股份有限公司 2025-01-07 CN disclosed