SCHEMBL12495116

SCHEMBL12495116

CCCOc1c(C#N)c(N2CCNCC2C)nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.39
▸ SPAST Q9UBP0 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTR2A P28223 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL20975373 0.84 KDM4E (0.46) TP53NPC1RAB9AAPAF1CASP3
SCHEMBL12495119 0.83 HTR2C (0.41) HTR2CSPASTMAPTHTR2AHTR2B
SCHEMBL2871462 0.75 ALDH1A1 (0.40) MAPTTP53NPC1RAB9AAPAF1
SCHEMBL4912320 0.75 MAPT (0.36) HTR2CSPASTMAPTHTR2ATP53
SCHEMBL5667529 0.73 SPAST (0.43) HTR2CSPASTMAPTHTR2ATP53
SCHEMBL7916401 0.73 ADORA2A (0.43) MAPTTP53NPC1RAB9AAPAF1
SCHEMBL7916437 0.72 ALDH1A1 (0.38) MAPTTP53NPC1RAB9AAPAF1
SCHEMBL5667956 0.72 SPAST (0.43) HTR2CSPASTMAPTHTR2ATP53
SCHEMBL7913463 0.72 ALDH1A1 (0.37) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL7914416 0.72 ALDH1A1 (0.40) MAPTTP53NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018163051-A1 METHODS OF TREATMENT OF CANCER WITH REDUCED UBB EXPRESSION NOVARTIS AG (CH) 2018-09-13 — — WO disclosed
EP-2968592-A2 ANTIBODY DRUG CONJUGATES Novartis AG (CH) 2016-01-20 — — EP disclosed
EP-2922572-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB Science (FR) 2015-09-30 — — EP disclosed
WO-2014160160-A2 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2014-10-02 — — WO disclosed
WO-2014079709-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB SCIENCE (FR) 2014-05-30 — — WO disclosed
EP-2686429-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES Cellworks Research India Private Limited (IN) 2014-01-22 — — EP disclosed
WO-2012125379-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS RESEARCH INDIA PRIVATE LIMITED (IN) 2012-09-20 — — WO disclosed
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