SCHEMBL8440693

SCHEMBL8440693

CCc1ccc(N=C(N)N2CCc3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.76
MAPT P10636 6/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SCN2A Q99250 1/20 0.48
PLAU P00749 1/20 0.46
NOS1 P29475 1/20 0.46
POLB P06746 2/20 0.46
NOTUM Q6P988 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 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
SCHEMBL6768501 0.86 SIGMAR1 (1.00) SIGMAR1MAPTTDP1RAB9ANPC1
SCHEMBL7681718 0.85 SCN2A (0.64) SIGMAR1MAPTTDP1RAB9ANPC1
SCHEMBL6768624 0.84 SIGMAR1 (0.67) SIGMAR1MAPTTDP1RAB9ANPC1
SCHEMBL6895611 0.84 SIGMAR1 (0.58) SIGMAR1MAPTTDP1RAB9ANPC1
SCHEMBL6770940 0.83 SIGMAR1 (0.60) SIGMAR1MAPTTDP1SCN2APOLB
SCHEMBL7100143 0.82 SIGMAR1 (0.58) SIGMAR1MAPTTDP1RAB9ANPC1
SCHEMBL7104845 0.82 RAB9A (0.59) SIGMAR1MAPTTDP1RAB9ANPC1
SCHEMBL6765764 0.79 SIGMAR1 (0.58) SIGMAR1MAPTTDP1RAB9ANPC1
SCHEMBL6774554 0.79 SIGMAR1 (0.87) SIGMAR1MAPTTDP1NOTUMTSHR
SCHEMBL7099375 0.79 SIGMAR1 (0.65) SIGMAR1MAPTTDP1RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed