SCHEMBL9748423

SCHEMBL9748423

O=C(OC(=O)c1ccc(N=C=S)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.53
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
SENP8 Q96LD8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
KMT2A Q03164 1/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
TMPRSS15 P98073 1/20 0.41
P2RY6 Q15077 1/20 0.40

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
SCHEMBL9748412 0.93 HSD17B10 (0.46) MIFHSD17B10MAPTRAB9ACASP3
SCHEMBL635606 0.84 MIF (0.59) MIFHSD17B10MAPTRAB9AL3MBTL1
SCHEMBL8717537 0.79 LMNA (0.67) HSD17B10MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL1421354 0.79 RAB9A (0.56) MAPTRAB9ACASP3SENP7SENP6
SCHEMBL455561 0.77 MIF (0.54) MIFHSD17B10ALDH1A1KMT2ATSHR
SCHEMBL6755096 0.77 PRSS1 (0.53) HSD17B10F2PARP10PRSS1ACR
Benzene SCHEMBL27793442 0.77 LMNA (0.70) HSD17B10MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL52413 0.77 LMNA (0.70) HSD17B10MAPTL3MBTL1ALDH1A1KMT2A
Hydrogen Peroxide SCHEMBL27952375 0.77 LMNA (0.70) HSD17B10MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL27517752 0.76 MIF (0.52) MIFHSD17B10ALDH1A1KMT2ATSHR

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-0220899-B1 BIFUNCTIONAL LINKER Immunomedics, Inc. (US) 1992-03-11 EP disclosed
US-4680338-A Bifunctional linker IMMUNOMEDICS, INC. (US) 1987-07-14 US disclosed