SCHEMBL8976010

SCHEMBL8976010

O=C(S)c1ccc(C(=O)S)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HNF4A P41235 3/20 0.41
ACMSD Q8TDX5 2/20 0.41
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 1/20 0.40
DCLRE1A Q6PJP8 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
SCHEMBL29199932 0.82 CRHBP (0.44) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL28380645 0.81 HNF4A (0.56) CA12CA1CA2CA3CA4
SCHEMBL332581 0.80 ALDH1A1 (0.57) CA12CA1CA2CA4CA6
SCHEMBL901069 0.76 ACMSD (0.61) MAPTHNF4AACMSDALDH1A1ALOX15
SCHEMBL4151580 0.76 BCAT2 (0.59) MAPTLMNAHTTALDH1A1BCAT2
SCHEMBL4204955 0.74 BCAT2 (0.63) CA12CA1CA2CA3CA4
Biphenyl SCHEMBL2502615 0.73 ALDH1A1 (0.60) CA12CA1CA2CA3CA4
SCHEMBL1158059 0.73 CA12 (0.55) CA12CA1CA2CA3CA4
SCHEMBL28885072 0.73 BCAT2 (0.61) CA12CA1CA2CA3CA4
SCHEMBL9289443 0.73 HNF4A (0.72) MAPTLMNAHNF4AALDH1A1BCAT2

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
EP-0705860-A2 Process for preparing nitrogen containing polymers HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed