SCHEMBL7973963

SCHEMBL7973963

Clc1nnc(NN=Cc2ccccc2)cc1N1CC=CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SENP6 Q9GZR1 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
SENP7 Q9BQF6 3/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 8/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
FFAR1 O14842 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL7973961 1.00 RAB9A (0.44) RAB9AMAPTMEN1KMT2ASENP6
SCHEMBL7989236 0.88 CYP1A2 (0.48) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7989237 0.88 CYP1A2 (0.48) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6784562 0.85 SENP6 (0.56) RAB9AMAPTMEN1KMT2ASENP6
SCHEMBL6784565 0.85 SENP6 (0.56) RAB9AMAPTMEN1KMT2ASENP6
SCHEMBL7987392 0.82 NPC1 (0.40) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7987387 0.82 NPC1 (0.40) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7984107 0.76 ALDH1A1 (0.32) MAPTGAAALDH1A1
SCHEMBL7985243 0.71 TDP1 (0.34) MEN1KMT2A
SCHEMBL11279464 0.67 RAB9A (0.72) RAB9AMAPTMEN1KMT2ASENP6

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
US-6319924-B1 FOR THERAPY OF DELETERIOUS MENTAL STATES MERCK SHARP & DOHME LTD. (GB) 2001-11-20 US disclosed