SCHEMBL2337192

SCHEMBL2337192

CCC(C#N)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
FOLH1 Q04609 1/20 0.41
AKR1C3 P42330 1/20 0.41
MAPT P10636 2/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 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
SCHEMBL2336820 0.88 KMT2A (0.40) ANPEPENPEPALDH1A1KMT2AMAPT
SCHEMBL11469509 0.87 ANPEP (0.46) ANPEPENPEPALDH1A1KMT2AFOLH1
SCHEMBL3640935 0.85 LOXL2 (0.47) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL9843117 0.81 ANPEP (0.59) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL2446964 0.80 ANPEP (0.50) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL687298 0.80 ANPEP (0.50) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL30789009 0.80 ANPEP (0.50) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL13951835 0.80 ANPEP (0.57) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL8658142 0.80 ANPEP (0.53) ANPEPENPEPALDH1A1CA12CA1
SCHEMBL28932021 0.80 MAPT (0.47) ANPEPALDH1A1KMT2AAKR1C3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358689-A1 Benzothiazole derivatives as anticancer agents Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 WO disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
US-4183944-A ANALGESICS, ANTIPYRETICS, ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS RHONE POULENC INDUSTRIES (FR) 1980-01-15 US disclosed
US-4124596-A ANALGESICS, ANTIPYRETICS, ANTICLOTTING AGENTS, ANTIINFLAMMATORY AGENTS RHONE-POULENC INDUSTRIES (FR) 1978-11-07 US disclosed