SCHEMBL1684077

SCHEMBL1684077

Bc1cc(-c2ccccn2)c2sc(NC(=O)NCC)nc2c1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ABL1 P00519 8/20 0.42
▸ AGTR1 P30556 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL1708351 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ABL1AGTR1
SCHEMBL1841659 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1841588 0.84 — —
SCHEMBL4540031 0.84 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1843890 0.83 ABL1 (0.45) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1842825 0.83 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1
Lithium Ion SCHEMBL1843158 0.83 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
Lithium SCHEMBL1843160 0.83 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1843157 0.83 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1842856 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1AGTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 — — WO disclosed
Send feedback