SCHEMBL7404287

SCHEMBL7404287

COc1ccc(-c2ccc(NN)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 3/20 0.56
MAPK1 P28482 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ESR2 Q92731 1/20 0.52
NR4A1 P22736 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL6710 0.93 GAA (0.64) GAARAB9AMAPTNPC1MAPK1
Hydrochloric Acid SCHEMBL129453 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
SCHEMBL8863654 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
SCHEMBL28983971 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
Water SCHEMBL721160 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
Hydrochloric Acid SCHEMBL11741196 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
SCHEMBL29896240 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
Methane SCHEMBL9779840 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
Bromide SCHEMBL20984524 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1
Phosphine SCHEMBL8863649 0.91 GAA (0.61) GAARAB9AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed