SCHEMBL8774497

SCHEMBL8774497

CCCOc1ccc(C#Cc2cnc(Cl)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8774397 0.94 NPC1 (0.47) ACACBMCHR1ALDH1A1LMNANPC1
SCHEMBL8774773 0.92 ALDH1A1 (0.50) ACACBMCHR1ALDH1A1LMNANPC1
SCHEMBL8774402 0.88 ALDH1A1 (0.51) ACACBMCHR1ALDH1A1LMNASMN1; SMN2
SCHEMBL1007760 0.83 ALDH1A1 (0.42) ACACBALDH1A1LMNANPC1RAB9A
SCHEMBL8774695 0.81 FFAR1 (0.43) ACACBMCHR1ALDH1A1NPSR1
SCHEMBL9154082 0.80 FFAR1 (0.48) ACACBMCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL8774556 0.80 EGLN1 (0.47) ACACBALDH1A1LMNAPOLBNPSR1
SCHEMBL8774496 0.79 RAB9A (0.49) ACACBALDH1A1LMNANPC1RAB9A
SCHEMBL3434851 0.79 ACACB (0.57) ACACBMCHR1L3MBTL1
SCHEMBL16706066 0.79 ACACB (0.57) ACACBMCHR1L3MBTL1

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed