SCHEMBL7472945

SCHEMBL7472945

Cc1nc(Cc2ccc(Br)cc2)c(C=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
HTR1D P28221 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TYMS P04818 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTT P42858 2/20 0.32

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
SCHEMBL6820910 0.84 LTB4R (0.44) HPGDHTTCYP2C9GAA
SCHEMBL7466369 0.81 TYMP (0.41) TYMPHPGDHRH3SMN1; SMN2
SCHEMBL948881 0.72 HTT (0.35) CCNE2CCNE1CDK2HTT
SCHEMBL18973059 0.69 HRH3 (0.41) LMNAHPGDHRH3HTR1DSMN1; SMN2
SCHEMBL3036052 0.68
SCHEMBL18965597 0.68 ATM (0.37) HRH3HTR1DSMN1; SMN2NPC1RAB9A
SCHEMBL8973149 0.64 MAPK13 (0.47) PDE3BPDE3AMAPTGAA
SCHEMBL13611413 0.64 HRH3 (0.42) TYMPTSHRLMNAHPGDHRH3
SCHEMBL948785 0.63
SCHEMBL2943501 0.62 LTB4R (0.62) LMNAHPGDPDE3BPDE3ASMN1; SMN2

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-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed