SCHEMBL10384358

SCHEMBL10384358

CC(=O)NNNc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX5 P09917 1/20 0.52
TP53 P04637 1/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
TYR P14679 1/20 0.45
DRD1 P21728 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL3143658 0.88 TSHR (0.67) TSHRCYP3A4ALOX5TP53KMT2A
SCHEMBL10383327 0.81 CA1 (0.55) TSHRKMT2ACA12CA1CA2
SCHEMBL16771272 0.79 TSHR (0.67) TSHRTP53KMT2ACA12CA1
Acedoben SCHEMBL24320 0.75 ALDH1A1 (0.68) TSHRCYP3A4TP53KMT2ACA12
SCHEMBL12137649 0.75 TSHR (0.55) TSHRTP53KMT2ACA12CA1
Acedoben SCHEMBL11793874 0.74 ALDH1A1 (0.66) TSHRCYP3A4TP53KMT2ACA12
Acedoben SCHEMBL11274912 0.74 ALDH1A1 (0.66) TSHRCYP3A4TP53KMT2ACA12
Acedoben SCHEMBL3464430 0.74 ALDH1A1 (0.66) TSHRCYP3A4TP53KMT2ACA12
Acedoben SCHEMBL1458995 0.74 ALDH1A1 (0.66) TSHRCYP3A4TP53KMT2ACA12
Acedoben SCHEMBL9724003 0.73 MAPT (0.77) TSHRCYP3A4TP53KMT2ACA12

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-4916149-A Diuretic and saluretic 4-chloro-3-sulfamoylbenzoic acid hydrazides CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1990-04-10 US disclosed