SCHEMBL22337376

SCHEMBL22337376

Cc1ccc2c[nH]nc2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR1 P32246 1/20 0.42
RAB9A P51151 1/20 0.42
CCR5 P51681 1/20 0.42
CYP1A2 P05177 3/20 0.37
METAP2 P50579 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 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
SCHEMBL27181728 0.77 IDO1 (0.33)
SCHEMBL1639797 0.73 CRHBP (0.33) KMT2A
SCHEMBL14830999 0.73 NCF1 (0.37) KMT2AKDM4E
SCHEMBL21672130 0.72
SCHEMBL7509409 0.72 CCR1 (0.58) GAAKMT2ACCR1RAB9ACCR5
SCHEMBL22338015 0.70 CYP1A2 (0.45) GAAKMT2ACCR1RAB9ACCR5
SCHEMBL30620039 0.70 ALDH1A1 (0.35) KMT2ACYP1A2POLB
SCHEMBL24991184 0.69 NOS3 (0.33)
SCHEMBL2022194 0.67 KDM4E (0.49) KMT2ARAB9AKDM4ELMNA
SCHEMBL291014 0.67

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
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed