SCHEMBL30817843

SCHEMBL30817843

O=C(Cn1cnnn1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 1/20 0.50
▸ ALPG P10696 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ CXCR3 P49682 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ TP53 P04637 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
SCHEMBL1682667 1.00 HMOX1 (0.50) HMOX1ALPGALDH1A1MAPTKMT2A
SCHEMBL6556662 0.84 MAPK1 (0.53) ALPGALDH1A1MAPTKMT2AMEN1
SCHEMBL7792067 0.78 ALPG (0.61) HMOX1ALPGALDH1A1MAPTKMT2A
SCHEMBL9714015 0.76 LMNA (0.49) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL21821206 0.73 PLAU (0.54) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL30356468 0.73 POLB (0.58) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL1682664 0.73 POLB (0.58) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL30093208 0.71 KCNH2 (0.51) HMOX1ALPGALDH1A1HSD17B10POLB
SCHEMBL29669830 0.70 CA12 (0.56) ALPGKDM4E
SCHEMBL10878611 0.70 CA12 (0.56) ALPGKDM4E

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
CN-117736157-A Preparation method of tetrazole-substituted acetophenone compound 江苏恩华药业股份有限公司 2024-03-22 — — CN disclosed
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