SCHEMBL6936559

SCHEMBL6936559

CC1Cc2cc(Cl)c(Cl)cc2C(c2ccc([N+](=O)[O-])cc2)=NN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
PNMT P11086 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL6936506 0.90 MAPT (0.44) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL6937958 0.87 MAPT (0.44) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL5416313 0.83 MAPT (0.71) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL5416306 0.83 MAPT (0.71) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL6937483 0.83 MAPT (0.45) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL7604277 0.81 MAPT (0.43) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL8793307 0.81 MAPT (0.50) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL6993715 0.76 GRIA2 (0.47) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL5424614 0.76 MAPT (0.62) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL5424606 0.76 MAPT (0.62) MAPTLMNAHSD17B10MEN1KMT2A

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-0802195-B1 Substituted 2,3-benzodiazepine derivatives, process and intermediates for their preparation and pharmaceutical compositions comprising them as well as their use EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-11-19 EP disclosed
US-5807851-A MUSCLE RELAXANTS; NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR RT. (HU) 1998-09-15 US disclosed
EP-0802195-A2 Substituted 2,3-benzodiazepine derivatives, process and intermediates for their preparation and pharmaceutical compositions comprising them as well as their use EGIS GYOGYSZERGYAR RT. (HU) 1997-10-22 EP disclosed