SCHEMBL7966541

SCHEMBL7966541

Cc1nccn1Cc1ccc(C#N)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNH2 Q12809 6/20 0.42
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
GRM2 Q14416 1/20 0.41
CACNA1H O95180 2/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
PDE2A O00408 1/20 0.40
GRIN2B Q13224 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL26130734 0.81 LMNA (0.48) LMNAL3MBTL1KCNH2HTR1AHTR2C
SCHEMBL7964589 0.79 LMNA (0.51) LMNAL3MBTL1KCNH2HTR1AHTR2C
SCHEMBL7855826 0.77 LMNA (0.59) LMNAL3MBTL1CYP11B1CYP11B2
SCHEMBL31270697 0.75 LMNA (0.74) LMNAL3MBTL1KCNH2HTR1AHTR2C
SCHEMBL1844592 0.74 LMNA (0.49) LMNAL3MBTL1
SCHEMBL6410513 0.74 CACNA1H (0.39) CACNA1HCACNA1GCACNA1IPDE2ACYP11B1
SCHEMBL8221199 0.74 NSD2 (0.41) KCNH2CACNA1HCACNA1GCACNA1ITRPV4
SCHEMBL6417191 0.74 CACNA1H (0.38) CACNA1HCACNA1GCACNA1ITRPV4PDE2A
SCHEMBL7970784 0.74 FNTA (0.65) LMNAL3MBTL1KCNH2
SCHEMBL3500590 0.74 FNTA (0.65) LMNAL3MBTL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333335-B1 TO INHIBIT PRENYL-PROTEIN TRANSFERASE AND THE PRENYLATION OF THE ONCOGENE PROTEIN RAS MERCK & CO., INC. 2001-12-25 US disclosed
WO-2001007046-A1 PRENYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2001-02-01 WO disclosed