SCHEMBL8490770

SCHEMBL8490770

CCCCCCC(=O)Oc1ccc(C=c2[nH]c(=O)c(=Cc3ccc(OC)cc3)[nH]c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.57
▸ SERPINE1 P05121 6/20 0.55
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ TOP2A P11388 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL8490766 1.00 RET (0.57) RETSERPINE1KMT2ASMN1; SMN2EGFR
SCHEMBL8838101 0.86 SERPINE1 (0.61) RETSERPINE1KMT2ASMN1; SMN2EGFR
SCHEMBL8727134 0.82 KMT2A (0.61) RETKMT2ASMN1; SMN2EGFRERBB2
SCHEMBL8495431 0.82 SERPINE1 (0.62) SERPINE1
SCHEMBL8495426 0.82 SERPINE1 (0.62) SERPINE1
SCHEMBL6380223 0.80 SERPINE1 (0.67) SERPINE1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL6380230 0.80 SERPINE1 (0.67) SERPINE1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL8492223 0.80 SERPINE1 (0.59) SERPINE1KMT2AEGFRERBB2HPGD
SCHEMBL8492220 0.80 SERPINE1 (0.59) SERPINE1KMT2AEGFRERBB2HPGD
SCHEMBL6373443 0.79 SERPINE1 (0.68) SERPINE1KMT2ASMN1; SMN2MEN1TP53

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-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 — — US disclosed
EP-0745069-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP disclosed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO disclosed
Send feedback