SCHEMBL17199398

SCHEMBL17199398

O=C(Oc1ccnc2ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ESR1 P03372 2/20 0.54
▸ ESR2 Q92731 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ LMNA P02545 2/20 0.50
▸ METAP2 P50579 1/20 0.50
▸ METAP1 P53582 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ PARP1 P09874 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ FABP5 Q01469 1/20 0.43

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
SCHEMBL5825759 0.90 LMNA (0.48) MAPTKMT2ASMN1; SMN2HSD17B10ESR1
SCHEMBL38661023 0.88 ESR1 (0.56) MAPTKMT2ASMN1; SMN2ESR1ESR2
SCHEMBL2309532 0.85 CYP1A2 (0.45) SMN1; SMN2ALOX15LMNAFABP5CYP1A2
SCHEMBL38660920 0.84 KMT2A (0.60) MAPTKMT2ASMN1; SMN2HSD17B10ESR1
SCHEMBL27159853 0.84 LMNA (0.47) MAPTSMN1; SMN2HSD17B10LMNAMETAP2
SCHEMBL6631053 0.80 NCF1 (0.47) MAPTSMN1; SMN2ESR1LMNAFABP5
SCHEMBL30511914 0.80 PTPN1 (0.51) MAPTKMT2ASMN1; SMN2HSD17B10ESR1
SCHEMBL29380815 0.80 NCF1 (0.47) MAPTSMN1; SMN2ESR1LMNAFABP5
SCHEMBL9035250 0.80 LMNA (0.44) MAPTSMN1; SMN2HSD17B10LMNAALDH1A1
SCHEMBL13434056 0.80 PTPN1 (0.51) MAPTKMT2ASMN1; SMN2HSD17B10ESR1

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
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 — — EP disclosed
WO-2015160125-A1 NOVEL PREPARATION METHOD OF QUINOLINE N-OXIDE DERIVATIVE WITH AMIDE GROUP INSTITUTE FOR BASIC SCIENCE (KR) 2015-10-22 — — WO disclosed
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