SCHEMBL8993750

SCHEMBL8993750

O=C(Cn1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1=O)C1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
F10 P00742 3/20 0.40
F2 P00734 3/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
SLC16A3 O15427 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTR6 P50406 2/20 0.39
LMNA P02545 1/20 0.39
GHSR Q92847 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BCL2A1 Q16548 1/20 0.37
GLO1 Q04760 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PGAM1 P18669 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL8993752 0.78 F10 (0.55) ALDH1A1F10HTR6PLAU
SCHEMBL8993803 0.76 ACACB (0.36) ALDH1A1MEN1KMT2AHTR6BCL2L1
Hydrochloric Acid SCHEMBL8993816 0.72 ELANE (0.38) ALDH1A1
SCHEMBL8993761 0.70 RAD52 (0.47) ALDH1A1MEN1KMT2ALMNA
SCHEMBL8696361 0.69 CTSS (0.50) ALDH1A1F10F2KMT2ALMNA
SCHEMBL6786061 0.68 F2 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL19976581 0.65 PKM (0.56) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL6798748 0.65 KAT6A (0.45) ALDH1A1F10F2LMNAPLAU
SCHEMBL23371654 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL7954177 0.64 GAA (0.53) ALDH1A1MEN1KMT2ALMNA

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
US-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed