SCHEMBL7160758

SCHEMBL7160758

O=CNc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.52
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
DHODH Q02127 2/20 0.48
DEGS1 O15121 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
PTPN1 P18031 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL1457071 0.92 RXFP1 (0.56) RXFP1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7074399 0.86 PNLIP (0.61) RXFP1MEN1KMT2ALMNAPOLB
SCHEMBL7554138 0.82 CXCR2 (0.59) RXFP1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27678878 0.79 RXFP1 (0.66) RXFP1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7073511 0.79 TRPV1 (0.51) KDM4EHPGDPOLB
SCHEMBL7080494 0.79 PNLIP (0.62) MEN1KMT2AHTTKDM4ELMNA
SCHEMBL7073943 0.76 PKM (0.47) RXFP1NR1H4LMNATP53
SCHEMBL1457434 0.76 KMT2A (0.50) RXFP1MEN1KMT2AHTTKDM4E
SCHEMBL4297093 0.76 ALDH1A1 (0.51) RXFP1MEN1KMT2AKDM4ELMNA
SCHEMBL15536636 0.75 HTR2B (0.50) RXFP1MEN1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548549-B1 Fungicides, insecticides, bactericides; applying to plant BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-6001879-A SUITABLE FOR CONTROLLING PESTS, PREFERABLY FUNGI, INSECTS AND BACTERIA, IN PLANTS AND INDUSTRIAL MATERIALS; METHODS OF THEIR SYBNTHESIS INCLUDING REACTING AMINOSALICYLAMIDES WITH ACYLATING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed