SCHEMBL8712837

SCHEMBL8712837

S=C(S)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.52
PARP1 P09874 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
CTSL P07711 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL27977593 0.87 LMNA (0.49) C1SPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL9586439 0.79 C1S (0.54) C1SPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL9586434 0.77 PARP1 (0.63) C1SPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL28879914 0.77 C1S (0.52) C1SPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL2221662 0.77 C1S (0.63) C1SPARP1SMN1; SMN2CTSL
SCHEMBL4082758 0.75 C1S (0.60) C1SPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL8712276 0.74 CA12 (0.52) PARP1KMT2AHPGDLMNAALDH1A1
SCHEMBL8718296 0.74 PARP1 (0.54) PARP1ALDH1A1CTSL
SCHEMBL19157830 0.73 PARP1 (0.63) C1SPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL8712629 0.73 FURIN (0.36) SMN1; SMN2HPGDALDH1A1CTSLMAPT

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-5847061-A Process for producing polymers having terminal functional group which may be protected KURARAY CO., LTD. (JP) 1998-12-08 US disclosed
EP-0704460-B1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO (JP) 1998-11-04 EP disclosed
EP-0704460-A1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO., LTD. (JP) 1996-04-03 EP disclosed