SCHEMBL7442033

SCHEMBL7442033

COc1cc2c(cc1OC)C(c1ccccc1OC)=NN=C(C)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
RAD52 P43351 1/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE10A Q9Y233 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PDGFRB P09619 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7444355 0.89 MAPT (0.55) PKMRAD52MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7433736 0.88 MAPT (0.54) PKMRAD52MAPTLMNASMN1; SMN2
SCHEMBL10886665 0.88 PKM (0.61) PKMRAD52MAPTLMNASMN1; SMN2
SCHEMBL7410880 0.86 PDGFRB (0.49) PKMRAD52MAPTLMNASMN1; SMN2
SCHEMBL10891860 0.81 PKM (0.43) PKMRAD52MAPTLMNACA1
SCHEMBL6420733 0.80 MEN1 (0.52) MAPTLMNACA1CA2MAPK1
SCHEMBL7439882 0.79 ALDH1A1 (0.47) PKMRAD52MAPTLMNASMN1; SMN2
SCHEMBL7436927 0.79 PDE7A (0.46) MAPTLMNAPDE10APDGFRBMEN1
SCHEMBL7427118 0.79 MAPK1 (0.50) MAPTLMNASMN1; SMN2HTTPDGFRB
Nerisopam SCHEMBL1004757 0.78 CYP1A2 (0.63) PKMRAD52MAPTLMNASMN1; SMN2

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-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed