SCHEMBL11438898

SCHEMBL11438898

Cc1ccc(C(=O)Nc2c(O)c(S(=O)(=O)O)cc3ccccc23)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PTGER4 P35408 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ PLG P00747 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ PTGER2 P43116 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ DDX3X O00571 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL11432948 0.91 KMT2A (0.40) ADORA3KMT2AMEN1POLBGAA
SCHEMBL11425752 0.91 KMT2A (0.42) ADORA3KMT2AMEN1POLBGAA
SCHEMBL11425885 0.83 KMT2A (0.41) ADORA3KMT2AMEN1POLBGAA
SCHEMBL11433572 0.83 MPL (0.41) ADORA3KMT2AMEN1POLBGAA
SCHEMBL11439417 0.83 MPL (0.46) ADORA3KMT2AMEN1RAB9AKDM4E
SCHEMBL11439495 0.83 KCNMA1 (0.47) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL11429460 0.82 KMT2A (0.42) ADORA3KMT2AMEN1POLBGAA
SCHEMBL11431361 0.81 ALDH1A1 (0.46) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL11436214 0.81 RAB9A (0.41) ADORA3KMT2AMEN1POLBGAA
Acetic Acid SCHEMBL11425024 0.81 MPL (0.43) ADORA3KMT2AMEN1GAARAB9A

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-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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