SCHEMBL6755646

SCHEMBL6755646

Cc1ccc2nc(SCCCCCN)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
LMNA P02545 3/20 0.65
HTT P42858 3/20 0.65
CYP1A2 P05177 7/20 0.55
CYP2D6 P10635 7/20 0.55
CYP2C9 P11712 7/20 0.55
CYP2C19 P33261 7/20 0.55
CYP2E1 P05181 6/20 0.55
CYP3A4 P08684 6/20 0.55
CYP2C8 P10632 6/20 0.55
CYP2B6 P20813 6/20 0.55
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL6755644 0.89 LMNA (0.52) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6587918 0.88 MAPT (0.66) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6586332 0.86 MAPT (0.65) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6757973 0.84 HSD17B10 (0.56) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL14311148 0.81 LMNA (0.57) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6759851 0.80 BCHE (0.71) MAPTLMNAHTTNPC1RAB9A
SCHEMBL6759921 0.80 BCHE (0.71) MAPTLMNAHTTNPC1RAB9A
SCHEMBL19344591 0.79 CYP1A2 (0.53) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL29703200 0.78 CYP1A2 (0.66) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL10492884 0.78 HRH4 (0.70) MAPTLMNAHTTCYP1A2CYP2D6

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