SCHEMBL19468376

SCHEMBL19468376

CCN(CC)C(=S)SCc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PKM P14618 2/20 0.44
▸ MGLL Q99685 3/20 0.43
▸ PHGDH O43175 2/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL19494605 0.83 PKM (0.45) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL19468028 0.83 TAAR1 (0.54) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL19468181 0.82 ALDH1A1 (0.47) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL19468125 0.81 ALDH1A1 (0.59) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL148444 0.80 MGLL (0.59) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL19468385 0.79 CYP1A2 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDPKM
SCHEMBL19468237 0.78 EPHX1 (0.47) SMN1; SMN2ALDH1A1LMNAHPGDTAAR1
SCHEMBL19468248 0.78 PKM (0.44) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL3143432 0.78 MGLL (0.56) RAB9ASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL19468014 0.76 ALDH1A1 (0.63) ALDH1A1LMNAHPGDPKMMGLL

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
EP-3235815-A1 AGENTS AGAINST PARASITIC HELMINTHS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2017-10-25 — — EP disclosed
EP-3235815-A1 AGENTS AGAINST PARASITIC HELMINTHS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2017-10-25 — — EP disclosed
Send feedback