SCHEMBL27366764

SCHEMBL27366764

CC(C)(C)NC=O.O=C1Nc2ncccc2C1C(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
CASP7 P55210 1/20 0.36
CTRC Q99895 1/20 0.34
P2RX3 P56373 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL8652824 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27369487 0.82 POLB (0.36) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27367778 0.82 POLB (0.36) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27346346 0.80 TDP1 (0.35) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27374490 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27370288 0.76 NPC1 (0.35) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27401108 0.75 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27317935 0.75 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27527209 0.75 MAPT (0.32) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27346343 0.75 GAA (0.32) ALDH1A1MEN1KMT2AKDM4EMAPT

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
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed