SCHEMBL8659986

SCHEMBL8659986

CC(C)C[C@H](N)C(=O)c1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.55
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPT P10636 2/20 0.40

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
SCHEMBL8659988 1.00 PARP1 (0.55) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL2625204 0.81 PARP1 (0.62) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL7533265 0.79 MMP1 (0.46) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL8664868 0.77 NLN (0.61) CASP3SENP8SENP7MEN1KMT2A
SCHEMBL8661069 0.77 NLN (0.61) CASP3SENP8SENP7MEN1KMT2A
SCHEMBL8661068 0.77 NLN (0.61) CASP3SENP8SENP7MEN1KMT2A
SCHEMBL6622312 0.74 MMP1 (0.52) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL18019186 0.74 LARS1 (0.55) ALDH1A1MMP1ADAM17POLB
SCHEMBL20048653 0.74 LARS1 (0.44) PARP1NPC1RAB9AMMP1ADAM17
SCHEMBL11855800 0.73 ALDH1A1 (0.59) PARP1NPC1RAB9ACASP3SENP8

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
US-5804400-A Electrochemiluminescent assay IGEN INTERNATIONAL, INC. (US) 1998-09-08 — — US disclosed
WO-1997028275-A1 ELECTROCHEMILUMINESCENCE ENZYME ASSAY IGEN INTERNATIONAL, INC. (US) 1997-08-07 — — WO disclosed
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