SCHEMBL17833192

SCHEMBL17833192

CNCCCNc1nc(-c2cc(Br)c3ccccc3c2)nc2c(C)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
ACP1 P24666 1/20 0.39
RAD52 P43351 2/20 0.39
KMT2A Q03164 2/20 0.39
GBA1 P04062 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SYK P43405 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE5A O76074 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL17829819 0.88 RAD52 (0.53) PRKCIACP1RAD52KMT2AALDH1A1
SCHEMBL17833191 0.85 RAD52 (0.42) ACP1RAD52KMT2AALDH1A1MAPK1
SCHEMBL17833279 0.80 CTNNB1 (0.37) PRKCIACP1RAD52KMT2AALDH1A1
SCHEMBL17833283 0.80 SYK (0.40) ACP1RAD52KMT2AALDH1A1MAPK1
SCHEMBL17833189 0.79 KMT2A (0.39) ACP1RAD52KMT2AALDH1A1MAPT
SCHEMBL17833161 0.78 KMT2A (0.40) ACP1RAD52KMT2AALDH1A1MAPT
SCHEMBL17829683 0.76 KDM1A (0.40) RAD52KMT2AALDH1A1MAPTSYK
SCHEMBL17833235 0.76 SYK (0.43) ACP1RAD52KMT2AALDH1A1MAPK1
SCHEMBL17833238 0.76 TNKS (0.41) PRKCIACP1RAD52KMT2AALDH1A1
SCHEMBL17833280 0.76 SYK (0.37) ACP1RAD52KMT2AALDH1A1MAPT

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-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed