SCHEMBL6757965

SCHEMBL6757965

NCCCCCSc1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
AR P10275 4/20 0.44
BCHE P06276 1/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2E1 P05181 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C8 P10632 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2B6 P20813 4/20 0.43
CYP2C19 P33261 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41

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
SCHEMBL16198322 0.92 BCHE (0.51) RAB9ANPC1ARBCHELMNA
SCHEMBL6757973 0.89 HSD17B10 (0.56) RAB9ANPC1ARLMNAHSD17B10
SCHEMBL9729552 0.86 CYP1A2 (0.58) RAB9ANPC1ARCYP1A2CYP2E1
SCHEMBL6755644 0.84 LMNA (0.52) RAB9ANPC1ARBCHELMNA
SCHEMBL14304934 0.81 RAB9A (0.63) RAB9ANPC1BCHELMNAHSD17B10
SCHEMBL6759921 0.80 BCHE (0.71) RAB9ANPC1ARBCHELMNA
SCHEMBL6759851 0.80 BCHE (0.71) RAB9ANPC1ARBCHELMNA
SCHEMBL19330726 0.78 LMNA (0.52) RAB9ANPC1ARBCHELMNA
SCHEMBL6604228 0.78 AR (0.50) RAB9ANPC1ARBCHELMNA
SCHEMBL11020969 0.77 RAB9A (0.50) RAB9ANPC1ARBCHELMNA

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-6787561-B1 HYPERLIPIDEMIA, ARTERIOSCLEROSIS; ORAL ADMINISTRATION; SUPPRESSING THE FORMING OF MACROPHAGES FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
EP-1197493-A1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2002-04-17 EP disclosed