SCHEMBL23655571

SCHEMBL23655571

CCc1ccc(N2CCN(c3ccc(C(F)(F)P)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
REV1 Q9UBZ9 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
GFER P55789 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ME2 P23368 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
SCHEMBL28758087 0.82 KDM4E (0.61) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL12826299 0.77 MAPT (0.64) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL13634499 0.77 REV1 (0.48) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL12128002 0.74 KDM4E (0.63) KDM4ENPC1RAB9AMAPTREV1
SCHEMBL23655782 0.74 ADRB1 (0.53) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL178275 0.74 ALDH1A1 (0.63) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL2056142 0.74 KDM4E (0.57) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL24715763 0.74 KDM4E (0.57) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL13179270 0.74 KDM4E (0.49) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL13838188 0.73 KDM4E (0.52) KDM4ENPC1RAB9AMAPTALDH1A1

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-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed