SCHEMBL31120780

SCHEMBL31120780

O=C(O)c1cccc2cccnc12.O=C(O)c1cccc2cccnc12.O=C(O)c1cccc2cccnc12.[Al]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.68
ALDH1A1 P00352 6/20 0.68
LMNA P02545 3/20 0.68
ALOX12 P18054 2/20 0.68
KDM4E B2RXH2 6/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 4/20 0.55
MAPT P10636 3/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NAPRT Q6XQN6 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL29749881 0.98 PARP1 (0.70) PARP1ALDH1A1LMNAALOX12KDM4E
SCHEMBL111826 0.98 PARP1 (0.70) PARP1ALDH1A1LMNAALOX12KDM4E
SCHEMBL28875211 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E
SCHEMBL30006639 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E
Hydrochloric Acid SCHEMBL7320778 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E
Hydrochloric Acid SCHEMBL9691259 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E
SCHEMBL27593762 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E
SCHEMBL16859274 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E
Water SCHEMBL28396801 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E
SCHEMBL27738328 0.96 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12KDM4E

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-118460982-A Control system of deposition source 三星显示有限公司 2024-08-09 CN disclosed