SCHEMBL31056891

SCHEMBL31056891

O=C(O)c1cccc(C2CNCCN2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALB P02768 1/20 0.40
MMP2 P08253 1/20 0.40
HNF4A P41235 1/20 0.38
HMGB1 P09429 2/20 0.36
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCD Q05655 1/20 0.34
CDC25B P30305 1/20 0.33
ALOX15 P16050 1/20 0.33
G6PD P11413 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 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
SCHEMBL30109175 0.86 PARP1 (0.44) PARP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15203701 0.86 PARP1 (0.44) PARP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5863841 0.81 PARP1 (0.41) PARP1ALDH1A1HPGDCDC25BCASP6
SCHEMBL27977978 0.80 PARP1 (0.40) PARP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30109198 0.78 ALDH1A1 (0.46) PARP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL31056773 0.78 CYP2C9 (0.40) PARP1ALDH1A1PRKCGPRKCBPRKCA
SCHEMBL30109265 0.76 PARP1 (0.40) PARP1CDC25BCYP2C9
SCHEMBL3254494 0.76 PARP1 (0.55) PARP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11300941 0.73 KDM4C (0.39) PARP1ALDH1A1KDM4EKMT2A
SCHEMBL31056764 0.73 CYP2C9 (0.41) PARP1ALDH1A1HPGDKDM4EHSD17B10

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
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed