SCHEMBL10647635

SCHEMBL10647635

Cc1[nH]c(-c2ccccn2)nc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.65
KMT2A Q03164 2/20 0.54
OPRK1 P41145 1/20 0.54
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CBFB Q13951 4/20 0.48
METAP2 P50579 3/20 0.48
METAP1 P53582 3/20 0.48
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
MTOR P42345 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10679715 0.88 OPRK1 (0.54) PIN1KMT2AOPRK1KDM4ENPC1
SCHEMBL11881087 0.83 PIN1 (0.64) PIN1KMT2AKDM4ENPC1LMNA
Oxalic Acid SCHEMBL28350889 0.81 PIN1 (0.60) PIN1KMT2AKDM4ENPC1LMNA
SCHEMBL316552 0.79 PIN1 (1.00) PIN1KDM4EALDH1A1PKMHPGD
SCHEMBL13982947 0.79 KDM4E (0.50) KMT2AOPRK1KDM4ENPC1LMNA
SCHEMBL28350887 0.77 PIN1 (0.49) PIN1KMT2AKDM4ENPC1LMNA
SCHEMBL1345968 0.77 KMT2A (0.62) KMT2AOPRK1KDM4ENPC1LMNA
SCHEMBL28402323 0.75 KMT2A (0.56) KMT2AOPRK1KDM4ENPC1LMNA
SCHEMBL20665816 0.75 KMT2A (0.56) KMT2AOPRK1KDM4ENPC1LMNA
SCHEMBL7991915 0.75 TGFBR1 (0.57) PIN1KMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4743586-A PREPARATION FROM A METHYLAMINE, 2-OXIME OF ETHYL 2,3-DIOXOBUTYRATE, HYDRAZINE, TRIETHOXYMETHANE AMERICAN CYANAMID COMPANY (US) 1988-05-10 US disclosed