SCHEMBL7868993

SCHEMBL7868993

COc1ccccc1C(O)C#N.c1cc2ccc1CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
P4HB P07237 1/20 0.33
SMAD3 P84022 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL1199570 0.82 TSHR (0.47) KDM4EMAPTSMN1; SMN2HPGDALOX15
SCHEMBL22144397 0.82 TSHR (0.47) KDM4EMAPTSMN1; SMN2HPGDALOX15
SCHEMBL1200839 0.73 TSHR (0.41) KDM4EMAPTSMN1; SMN2HPGDALOX15
SCHEMBL1200418 0.70 GAA (0.55) SMN1; SMN2HPGDALDH1A1KMT2AMEN1
SCHEMBL1200542 0.68 CTDSP1 (0.46) KDM4EMAPTALOX15HSD17B10ALDH1A1
SCHEMBL1200820 0.68 TSHR (0.42) KDM4EMAPTSMN1; SMN2HPGDALOX15
2-Methoxybenzaldehyde SCHEMBL28826415 0.68 ALDH1A1 (0.45) KDM4ESMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL1199595 0.67 PTGS2 (0.47) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL28301959 0.67 KDM4E (0.40) KDM4EMAPTSMN1; SMN2HPGDALOX15
SCHEMBL1200939 0.66 AR (0.44) KDM4EMAPTSMN1; SMN2HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307068-B1 TREATING OR IN PREVENTING CANCER. ADIR ET COMPAGNIE (FR) 2001-10-23 US disclosed
EP-1086107-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2001-03-28 EP disclosed
WO-1999065914-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) 1999-12-23 WO disclosed