SCHEMBL29013100

SCHEMBL29013100

Nc1ccc(N)cc1.O=C(O)c1ccc(C(=O)O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
FDPS P14324 1/20 0.42
GFER P55789 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
FLT3 P36888 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL11904537 0.87 TDP1 (0.61) TDP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL38726 0.87 TDP1 (0.61) TDP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL7784369 0.85 ALDH1A1 (0.47) TDP1ALDH1A1HPGDTSHRMEN1
SCHEMBL7777755 0.85 POLB (0.47) TDP1ALDH1A1HPGDTSHRMEN1
SCHEMBL7784405 0.85 ALDH1A1 (0.43) TDP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL23727166 0.84 TDP1 (0.58) TDP1ALDH1A1HPGDMEN1KMT2A
Bromide SCHEMBL20513084 0.84 TDP1 (0.58) TDP1ALDH1A1HPGDMEN1KMT2A
Fluoride SCHEMBL21331933 0.84 TDP1 (0.58) TDP1ALDH1A1HPGDMEN1KMT2A
Fluoride SCHEMBL20513066 0.84 TDP1 (0.58) TDP1ALDH1A1HPGDMEN1KMT2A
Ammonia Solution, Strong SCHEMBL16240294 0.84 TDP1 (0.58) TDP1ALDH1A1HPGDMEN1KMT2A

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 2 patents. 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
CN-116259925-A Lithium battery isolating film and preparation method thereof 上海兰钧新能源科技有限公司 2023-06-13 CN disclosed