SCHEMBL7824068

SCHEMBL7824068

CCCCOc1ccc2c(c1)C(=N)NC2=N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDK2 Q15119 3/20 0.43
PTPN1 P18031 1/20 0.41
LTA4H P09960 2/20 0.41
PTPN11 Q06124 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL7830756 0.95 NR5A1 (0.47) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL11189556 0.86 NQO1 (0.46) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL7815236 0.82 MEN1 (0.35) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL7830753 0.79 MEN1 (0.40) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL3207483 0.78 PDK2 (0.45) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL7815934 0.76 MEN1 (0.41) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL11518444 0.76 MAOA (0.66) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL29546372 0.76 CA1 (0.47) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL3138724 0.76 CA1 (0.47) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL7825876 0.75 PDK2 (0.44) KMT2AMAPTMEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed
US-5387694-A Chromogenic methylenepyrrolines CIBA-GEIGY CORPORATION (US) 1995-02-07 US disclosed
EP-0568497-A1 Chromogene methylenepyrrolins CIBA-GEIGY AG (CH) 1993-11-03 EP disclosed
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed
EP-0017132-B1 DYESTUFFS, THEIR PREPARATION AND UTILISATION BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0017132-A1 Dyestuffs, their preparation and utilisation BASF Aktiengesellschaft (DE) 1980-10-15 EP disclosed