SCHEMBL22893678

SCHEMBL22893678

Cc1cc(C(N)=O)ccc1N=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NOS1 P29475 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BRPF1 P55201 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PARP10 Q53GL7 2/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ PARP4 Q9UKK3 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PARP15 Q460N3 1/20 0.38

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
SCHEMBL13667259 0.83 HTT (0.37) SMN1; SMN2KDM4EALDH1A1PRSS1PRSS2
SCHEMBL12826671 0.82 MEN1 (0.49) SMN1; SMN2KDM4EALDH1A1HSD17B10CA1
SCHEMBL19441520 0.82 LCK (0.44) PARP1SMN1; SMN2NOS1LCKBRD4
SCHEMBL3670437 0.79 PARP1 (0.41) PARP1SMN1; SMN2NOS1LCKBRD4
SCHEMBL13513549 0.78 ATM (0.44) SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL10157678 0.78 HDAC8 (0.46) SMN1; SMN2CA2TSHR
SCHEMBL12139942 0.78 HPGD (0.43) SMN1; SMN2ALDH1A1
SCHEMBL12330622 0.78 PARP1 (0.41) PARP1SMN1; SMN2NOS1BRD4HSD17B10
SCHEMBL29503140 0.77 PRSS1 (0.61) PARP1SMN1; SMN2LCKALDH1A1PRSS1
SCHEMBL1002832 0.77 PRSS1 (0.61) PARP1SMN1; SMN2LCKALDH1A1PRSS1

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
EP-3763225-A1 BLACK RICE EXTRACT FERMENTS AND THE PREPARATION METHODS AND APPLICATIONS THEREOF TCI Co., Ltd. (TW) 2021-01-13 — — EP disclosed
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