SCHEMBL10487698

SCHEMBL10487698

CCc1c(C(=O)OC)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
PKM P14618 1/20 0.39
RORC P51449 1/20 0.38
LMNA P02545 1/20 0.38
ABL1 P00519 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 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
SCHEMBL10487642 0.89 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL10607310 0.87 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL10608505 0.85 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL8977186 0.84 GRIN2D (0.40) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL10608370 0.83 SMN1; SMN2 (0.39) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL9076418 0.82 SMN1; SMN2 (0.46) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL730928 0.81 GRIN2D (0.38) KMT2AKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL2963423 0.81 SMN1; SMN2 (0.45) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL305861 0.81 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL3667323 0.78 COMT (0.44) MEN1KMT2AKDM4EALDH1A1TSHR

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