SCHEMBL18534591

SCHEMBL18534591

CC1CC(c2nc(-c3ccc(Br)cc3)c[nH]2)N(C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
APP P05067 1/20 0.31
PAX8 Q06710 1/20 0.31
LMNA P02545 1/20 0.31
XDH P47989 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL15349950 0.82 KMT2A (0.39) KMT2ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL20218565 0.79 LPL (0.36)
SCHEMBL15585595 0.79 LPL (0.36)
SCHEMBL4727696 0.78 CDC7 (0.43) ALDH1A1LMNA
SCHEMBL15362839 0.78 CDC7 (0.43) ALDH1A1LMNA
SCHEMBL15773761 0.77 ABL1 (0.38) KMT2AKDM4E
SCHEMBL14914689 0.77 ABL1 (0.38) KMT2AKDM4E
SCHEMBL14915403 0.77 ABL1 (0.38) KMT2AKDM4E
SCHEMBL2449358 0.76 ABL1 (0.38) KMT2A
SCHEMBL18727386 0.76 CHRNA7 (0.32) SMN1; SMN2ALDH1A1NPC1RAB9AAPP

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
EP-2850075-B1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-02-22 EP disclosed