SCHEMBL6975823

SCHEMBL6975823

Cc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)C[C]=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
DDX3X O00571 3/20 0.54
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
GRK2 P25098 1/20 0.49
ALDH1A1 P00352 1/20 0.48
RORC P51449 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL3774027 0.80 RAB9A (0.58) GHSRRAB9ANPC1KMT2AMAPT
SCHEMBL6768584 0.77 GHSR (0.53) GHSRRAB9ANPC1KMT2AMAPT
SCHEMBL5852186 0.77 DDX3X (0.70) RAB9ANPC1KMT2AMAPTHTT
SCHEMBL812756 0.76 DDX3X (0.80) RAB9ANPC1KMT2AMAPTHTT
SCHEMBL6983479 0.76 RAB9A (0.54) RAB9ANPC1KMT2AMAPTHTT
SCHEMBL6983832 0.76 RAB9A (0.58) RAB9ANPC1KMT2AMAPTHTT
SCHEMBL7104543 0.75 RAB9A (0.62) GHSRRAB9ANPC1KMT2AMAPT
SCHEMBL14561170 0.75 RAB9A (0.67) GHSRRAB9ANPC1KMT2AMAPT
SCHEMBL1275926 0.74 RAB9A (0.75) RAB9ANPC1KMT2AMAPTHTT
SCHEMBL17084259 0.74 RAB9A (0.67) RAB9ANPC1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed