SCHEMBL10808164

SCHEMBL10808164

COc1ccc(-c2nnc(SC)nc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.51
▸ PTGES O14684 4/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ TP53 P04637 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
SCHEMBL11240864 0.90 NPSR1 (0.64) NPSR1PTGESMEN1KMT2AMAPT
SCHEMBL11719116 0.88 NPSR1 (0.57) NPSR1PTGESMEN1KMT2AMAPT
SCHEMBL11240284 0.81 PTGES (0.57) NPSR1PTGESMAPTLMNAL3MBTL1
SCHEMBL10812182 0.80 NPSR1 (0.54) NPSR1PTGESMEN1KMT2AMAPT
SCHEMBL10809881 0.80 NPSR1 (0.54) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL10808538 0.80 NPSR1 (0.79) NPSR1PTGESMEN1KMT2AMAPT
SCHEMBL10887189 0.78 NPSR1 (0.52) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL10508211 0.77 ALDH1A1 (0.60) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL21852751 0.74 ALDH1A1 (0.67) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL25440088 0.74 MAPT (0.58) PTGESMEN1KMT2AMAPTPOLB

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-0077983-B1 TRIAZINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-29 — — EP disclosed
US-4616014-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 — — US disclosed
EP-0077983-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-04 — — EP disclosed
Send feedback