SCHEMBL8429109

SCHEMBL8429109

NN=CNc1cccc(C(=O)C(N)(Oc2ccccc2)C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 1/20 0.36
STS P08842 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
MAPK1 P28482 1/20 0.35
NLRP3 Q96P20 1/20 0.34
PPARG P37231 1/20 0.34
MAPT P10636 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
SCHEMBL8432297 0.86 RAB9A (0.43) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8432262 0.81 ERCC5 (0.38) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL8534258 0.78 KMT2A (0.34) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8429166 0.77 CA1 (0.43) MEN1KMT2ANPC1SMN1; SMN2CA1
SCHEMBL8431264 0.75 CA1 (0.36) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL6777725 0.75 RAB9A (0.50) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL8538572 0.73 KMT2A (0.36) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8534298 0.72 KMT2A (0.34) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8693780 0.72 CA1 (0.39) MEN1KMT2ACA1CA2CA4
SCHEMBL8429249 0.71 MAPK1 (0.33) KMT2AMITFPOLBMAPK1FABP1

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed