SCHEMBL6587918

SCHEMBL6587918

Cc1ccc2nc(SCCCCCO)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
LMNA P02545 3/20 0.66
HTT P42858 3/20 0.66
CYP1A2 P05177 8/20 0.64
CYP2D6 P10635 8/20 0.64
CYP2C9 P11712 8/20 0.64
CYP2C19 P33261 8/20 0.64
CYP2E1 P05181 7/20 0.64
CYP2C8 P10632 7/20 0.64
CYP2B6 P20813 7/20 0.64
CYP3A4 P08684 6/20 0.64
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL6587908 0.89 CYP1A2 (0.54) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6755646 0.88 MAPT (0.65) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6586332 0.88 MAPT (0.65) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL14311148 0.82 LMNA (0.57) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6605155 0.80 EPHX2 (0.79) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6608285 0.80 EPHX2 (0.79) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6604271 0.80 EPHX2 (0.79) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL29703200 0.79 CYP1A2 (0.66) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL10492884 0.79 HRH4 (0.70) MAPTLMNAHTTCYP1A2CYP2D6
SCHEMBL6604521 0.79 LMNA (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815455-B1 ANTIFOAM AGENTS OF MACROPHAGES; PREVENTING ARTERIOSCLEROSIS FUJI PHOTO FILM CO., LTD. (JP) 2004-11-09 US disclosed
EP-1197487-B1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2004-01-14 EP disclosed
EP-1197487-A1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME Fuji Photo Film Co., Ltd. (JP) 2002-04-17 EP disclosed