SCHEMBL10985277

SCHEMBL10985277

O=C(Nc1ccccc1)C1=CNC=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 3/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CFTR P13569 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL10861181 0.78 NPC1 (0.53) TP53MEN1KMT2AKDM4ECHRNB2
SCHEMBL12247923 0.75 HPGD (0.51) METAP2ALDH1A1HPGDTP53MEN1
SCHEMBL7258371 0.71 RAB9A (0.46) METAP2ALDH1A1HPGDTP53MEN1
SCHEMBL437231 0.68 ALDH1A1 (0.87) METAP2ALDH1A1HPGDTP53MEN1
SCHEMBL11188683 0.68 PTPN1 (0.42) ALDH1A1HPGDTP53MEN1KMT2A
SCHEMBL11593143 0.68 RAB9A (0.42) ALDH1A1HPGDTP53MEN1KMT2A
SCHEMBL11266257 0.67 ALDH1A1 (0.83) METAP2ALDH1A1HPGDTP53MEN1
SCHEMBL11266259 0.67 ALDH1A1 (0.83) METAP2ALDH1A1HPGDTP53MEN1
SCHEMBL18250666 0.66 PTPN1 (0.43) METAP2ALDH1A1HPGDTP53MEN1
SCHEMBL20512531 0.65 TP53 (0.56) METAP2ALDH1A1HPGDTP53MEN1

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-4493729-A HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1985-01-15 US disclosed