SCHEMBL8307416

SCHEMBL8307416

Cc1ccc(C)c(NC(=N)N2Cc3cccc4cccc2c34)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.44
MAPT P10636 6/20 0.44
RAB9A P51151 4/20 0.43
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 4/20 0.39
MEN1 O00255 3/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37

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
Hydrochloric Acid SCHEMBL6769510 0.99 POLB (0.43) POLBMAPTRAB9ALMNATP53
SCHEMBL8334448 0.88 SMN1; SMN2 (0.40) POLBMAPTRAB9ALMNAKMT2A
Hydrochloric Acid SCHEMBL8301740 0.86 SMN1; SMN2 (0.39) POLBMAPTRAB9ALMNAKMT2A
SCHEMBL8338426 0.84 DRD2 (0.42) POLBRAB9AKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL6765727 0.83 NPC1 (0.41) POLBMAPTRAB9ATP53ALDH1A1
SCHEMBL6928344 0.82 LMNA (0.39) MAPTLMNATP53KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6770312 0.80 KDM4E (0.45) POLBMAPTRAB9AKMT2AALDH1A1
SCHEMBL8300326 0.78 SIGMAR1 (0.44) POLBMAPTLMNATP53KMT2A
SCHEMBL6927639 0.78 TAS1R3 (0.44) RAB9ALMNAKMT2AALDH1A1KDM4E
SCHEMBL6770585 0.78 RAB9A (0.53) POLBMAPTRAB9ALMNATP53

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

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