SCHEMBL9816571

SCHEMBL9816571

O=S(=O)(CCO)CCNc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
CASR P41180 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SNCA P37840 1/20 0.37
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
NOD2 Q9HC29 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 2/20 0.35
KIF18A Q8NI77 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7840209 0.87 CA1 (0.41) CA1CA2CA12CA9CASR
SCHEMBL9627421 0.86 CA1 (0.47) CA1CA2CA12CA9CASR
SCHEMBL10616377 0.85 CA1 (0.40) CA1CA2CA12CA9CASR
SCHEMBL9816419 0.81 TYMS (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL8087721 0.81 DDX3X (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL16173899 0.81 MAPT (0.59) ALDH1A1HSD17B10HTTLMNACYP2C19
SCHEMBL7838585 0.79 CA1 (0.42) CA1CA2CA12CA9CASR
SCHEMBL8431544 0.79 ALDH1A1 (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL8579284 0.79 CASR (0.38) CA1CA2CA12CA9CASR
SCHEMBL7760685 0.79 CA1 (0.40) CA1CA2CA12CA9CASR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174909-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
US-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0141776-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0076782-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-03-05 EP disclosed
EP-0076782-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed