SCHEMBL9042123

SCHEMBL9042123

C=CCn1nc(N)c(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HCRTR1 O43613 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL3622654 0.87 MAPK1 (0.46) CASP3MAPK1GAAPLK1APOBEC3G
SCHEMBL9041922 0.80 ALDH1A1 (0.51) MAPK1ALDH1A1KDM4EHPGDMEN1
SCHEMBL7298497 0.78 MEN1 (0.46) CASP3MAPK1NPC1ALDH1A1KDM4E
SCHEMBL9041703 0.77 P2RX4 (0.54) MAPK1NPC1ALDH1A1KDM4EHPGD
SCHEMBL8875584 0.75 ELANE (0.51) —
SCHEMBL18967143 0.74 KMT2A (0.39) CASP3GAAPLK1APOBEC3GALDH1A1
SCHEMBL12253484 0.74 GLS (0.58) CASP3APOBEC3GALDH1A1KDM4EHPGD
SCHEMBL6096584 0.73 MEN1 (0.39) CASP3GAAPLK1APOBEC3GALDH1A1
SCHEMBL6946908 0.73 CYP1A2 (0.52) MAPK1NPC1KDM4EMEN1KMT2A
SCHEMBL18967496 0.73 PARP1 (0.37) CASP3ALDH1A1KDM4EHPGDMEN1

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-0613470-B1 NOVEL 4-CINNOLINONE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPY PF MEDICAMENT (FR) 1996-01-10 — — EP claimed
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