SCHEMBL8044507

SCHEMBL8044507

O=CN(Cc1ccccc1)C(CS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.45
FOLH1 Q04609 1/20 0.45
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MME P08473 2/20 0.39
CTRB1 P17538 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 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
SCHEMBL27319185 0.85 CYP1A2 (0.47) CPA3FOLH1MMECYP1A2
SCHEMBL19975346 0.81 MMP1 (0.48) MEN1KMT2ANPC1RAB9ACHRNB2
SCHEMBL27004114 0.80 FOLH1 (0.50) CPA3FOLH1CA12CA9MME
SCHEMBL27004369 0.80 FOLH1 (0.50) CPA3FOLH1CA12CA9MME
SCHEMBL4576136 0.78 MEN1 (0.49) CPA3FOLH1CA12CA9MME
SCHEMBL11582506 0.78 FOLH1 (0.49) CPA3FOLH1CA12CA9MME
SCHEMBL19974836 0.77 ATM (0.44) MMEMEN1KMT2ANPC1RAB9A
SCHEMBL7425740 0.77 CA12 (0.51) CPA3FOLH1CA12CA9MEN1
SCHEMBL10336618 0.77 FOLH1 (0.47) CPA3FOLH1CA12CA9MME
SCHEMBL19974876 0.77 MEN1 (0.47) CA12CA9MEN1KMT2ANPC1

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-2000074705-A1 RHEUMATIC AUTOIMMUNE DISEASE ANTIGEN PREHM PETER (DE) 2000-12-14 WO disclosed