SCHEMBL8425934

SCHEMBL8425934

CN(CCc1cncn1Cc1ccc(C#N)cc1)C(=O)C1CCCN(Cc2cccc(Br)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FNTA P49354 11/20 0.47
FNTB P49356 11/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PGGT1B P53609 9/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL8101310 1.00 KCNH2 (0.48) KCNH2KDM4EMEN1KMT2AHTT
SCHEMBL8088212 0.85 FNTA (0.51) KCNH2FNTAFNTBPGGT1BCYP11B1
SCHEMBL8530784 0.85 FNTA (0.51) KCNH2FNTAFNTBPGGT1BCYP11B1
SCHEMBL8102468 0.84 KDM4E (0.44) KCNH2KDM4EMEN1KMT2AHTT
SCHEMBL8431156 0.84 FNTA (0.47) KCNH2HTTFNTAFNTBPKM
SCHEMBL8098304 0.84 FNTA (0.47) KCNH2HTTFNTAFNTBPKM
SCHEMBL8088208 0.79 FNTA (0.44) KCNH2FNTAFNTBPGGT1BCYP11B1
SCHEMBL8534856 0.79 CYP11B1 (0.49) KCNH2MEN1KMT2AALDH1A1FNTA
SCHEMBL8097403 0.79 CYP11B1 (0.49) KCNH2MEN1KMT2AALDH1A1FNTA
SCHEMBL8088941 0.77 KCNH2 (0.59) KCNH2FNTAFNTBPGGT1BCYP11B1

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
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed