SCHEMBL7327340

SCHEMBL7327340

N=C(N)c1ccc(OC(=O)c2ccccc2)c(NC(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
AHR P35869 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
MEN1 O00255 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
F10 P00742 5/20 0.51
MAPT P10636 2/20 0.49

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
Bicarbonate SCHEMBL7319914 0.99 KMT2A (0.53) KMT2ANPC1RAB9ANR1I2LMNA
SCHEMBL7330875 0.94 F10 (0.52) KMT2ANPC1RAB9ANR1I2LMNA
SCHEMBL7321079 0.87 KMT2A (0.51) KMT2ANPC1RAB9ANR1I2LMNA
SCHEMBL21771940 0.80 KMT2A (0.76) KMT2ANPC1RAB9ANR1I2LMNA
SCHEMBL21771978 0.80 KMT2A (0.67) KMT2ANPC1RAB9ANR1I2LMNA
SCHEMBL21771975 0.78 KMT2A (0.55) KMT2ANPC1RAB9ANR1I2LMNA
SCHEMBL16685068 0.78 KMT2A (0.77) KMT2ANPC1RAB9ANR1I2LMNA
SCHEMBL7333430 0.78 PRSS1 (0.57) KMT2ASMN1; SMN2F10MAPTF2
SCHEMBL7329213 0.78 ESR1 (0.52) KMT2ANPC1RAB9ASMN1; SMN2F10
SCHEMBL18668301 0.77 MAPT (0.55) KMT2ANPC1RAB9ANR1I2LMNA

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
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed