SCHEMBL8440692

SCHEMBL8440692

CCc1ccccc1NC(=N)N1CCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
TAAR1 Q96RJ0 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
NOTUM Q6P988 2/20 0.49
TSHR P16473 1/20 0.48
THRB P10828 1/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 3/20 0.47
NFKB1 P19838 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL6895610 0.85 MAPT (0.54) MAPTSIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL6769989 0.82 SIGMAR1 (0.59) MAPTSIGMAR1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6768842 0.81 SIGMAR1 (0.58) MAPTSIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL7101840 0.80 SIGMAR1 (0.53) MAPTSIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL6768941 0.80 SIGMAR1 (0.55) MAPTTAAR1SIGMAR1ALDH1A1KMT2A
SCHEMBL6774950 0.80 SIGMAR1 (0.55) MAPTSIGMAR1ALDH1A1KMT2APOLB
SCHEMBL7098713 0.79 SIGMAR1 (0.51) MAPTSIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL7099588 0.79 GAA (0.62) MAPTSIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL6774845 0.79 NPC1 (0.52) MAPTSIGMAR1ALDH1A1NOTUMTHRB
SCHEMBL6768523 0.79 KDM4E (0.50) MAPTTAAR1SIGMAR1ALDH1A1KMT2A

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