SCHEMBL10487642

SCHEMBL10487642

CCCc1c(C(=O)OC)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIM3 Q86V86 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL10487698 0.89 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL10487755 0.88 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL10487610 0.87 ALDH1A1 (0.44) KMT2AKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL10487782 0.85 LMNA (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL10607211 0.84 PIM3 (0.37) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9076418 0.80 SMN1; SMN2 (0.46) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL2963423 0.79 SMN1; SMN2 (0.45) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL305861 0.79 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL10608505 0.77 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL11676843 0.77 SMN1; SMN2 (0.44) KDM4EALDH1A1TSHRSMN1; SMN2HTT

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-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 EP disclosed
US-4835306-A Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1989-05-30 US disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 EP disclosed