SCHEMBL10965765

SCHEMBL10965765

NCCn1cc(CC(N)=O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICMT O60725 10/20 0.71
CDC25A P30304 1/20 0.53
PLA2G2A P14555 2/20 0.51
HTR6 P50406 1/20 0.50
CNR2 P34972 1/20 0.48
MCL1 Q07820 2/20 0.47
ASH1L Q9NR48 1/20 0.47

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
SCHEMBL5253839 0.89 ICMT (0.69) ICMTCDC25APLA2G2ACNR2MCL1
SCHEMBL2465449 0.88 CDC25A (0.68) ICMTCDC25AHTR6MCL1
SCHEMBL4988587 0.87 ICMT (0.74) ICMTCDC25APLA2G2ACNR2MCL1
SCHEMBL27446555 0.85 ICMT (0.64) ICMTCDC25APLA2G2AHTR6MCL1
SCHEMBL2595601 0.84 ICMT (0.71) ICMTCDC25APLA2G2A
SCHEMBL3667313 0.84 ICMT (0.97) ICMTCDC25A
SCHEMBL11893393 0.83 ICMT (1.00) ICMTCDC25A
SCHEMBL13241404 0.82 ICMT (0.67) ICMTCDC25APLA2G2ACNR2MCL1
SCHEMBL8086295 0.82 ICMT (0.71) ICMTCDC25AHTR6CNR2
SCHEMBL8289938 0.82 PLA2G2A (0.74) ICMTPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035474-B1 AMIDINES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed
US-4444768-A ICE CREAM CONE WRAPPER CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed
EP-0035474-A1 Amidines, process for their production, pharmaceutical preparations containing them and their use CIBA-GEIGY AG (CH) 1981-09-09 EP disclosed