SCHEMBL11099435

SCHEMBL11099435

N[C@H](Cc1nc2cc(Cl)ccc2o1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
AKR1B1 P15121 1/20 0.45
POLB P06746 1/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
KCNH2 Q12809 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL11100985 0.87 KMO (0.42) MEN1KMT2AMAPTCYP1A2AKR1B1
SCHEMBL11100833 0.84 GAA (0.45) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL11102891 0.83 PTPRA (0.39) PTPRAPTPRBALDH1A1KMO
SCHEMBL5288034 0.80 NPC1 (0.53) MEN1KMT2AMAPTLMNAAKR1B1
SCHEMBL11099516 0.80 NPC1 (0.53) MEN1KMT2AMAPTLMNAAKR1B1
SCHEMBL1627274 0.80 NPC1 (0.53) MEN1KMT2AMAPTLMNAAKR1B1
SCHEMBL11096618 0.80 AKR1B1 (0.46) CYP1A2AKR1B1PTPRAPTPRBALDH1A1
SCHEMBL9074105 0.79 AKR1B1 (0.58) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL11098155 0.78 GRIA1 (0.43) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL11309125 0.77 KMT2A (0.55) MEN1KMT2AMAPTLMNACYP1A2

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
EP-0042753-B1 NONAPEPTIDE AND DECAPEPTIDE AGONISTS OF LUTEINIZING HORMONE RELEASING HORMONE CONTAINING HETEROCYCLIC AMINO ACID RESIDUES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM, AND THEIR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-03-21 EP disclosed
US-4318905-A Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues SYNTEX (U.S.A.) INC. (US) 1982-03-09 US disclosed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 EP disclosed