SCHEMBL8430873

SCHEMBL8430873

CON(OC(C)(C)C)[C@](C(=O)O)(C(=C=O)c1ccccc1)c1cccc(NC=NN)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8429055 0.84 TRPV4 (0.35) KMT2ARXFP1KCNK9
SCHEMBL8428895 0.84 TRPV4 (0.35) KMT2ARXFP1KCNK9
SCHEMBL8431235 0.84 RXFP1 (0.32) KMT2ARXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL8429290 0.81 CA1 (0.33) KMT2ARXFP1RAB9AKCNK9MEN1
SCHEMBL8431435 0.81 CA1 (0.32) KMT2ARXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL8430969 0.80 NR1H4 (0.33) KMT2ANPC1RAB9ASMN1; SMN2KCNK9
SCHEMBL8430960 0.79 MAPT (0.35) KMT2ARXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL8432441 0.79 KMT2A (0.32) KMT2ARXFP1NPC1RAB9ASMN1; SMN2
SCHEMBL8430880 0.79 CA1 (0.37) KMT2ARXFP1SMN1; SMN2MEN1
SCHEMBL8429159 0.77 NR1H4 (0.32) KMT2ARAB9A

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 claimed