SCHEMBL31403254

SCHEMBL31403254

CN1CCCN(c2ccc3cc(C(N)=O)c4nc5ccccc5n4c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTR3A P46098 4/20 0.44
▸ HRH4 Q9H3N8 3/20 0.44
▸ HTR3E A5X5Y0 2/20 0.44
▸ HTR3B O95264 2/20 0.44
▸ HTR3D Q70Z44 2/20 0.44
▸ HTR3C Q8WXA8 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ PRKCQ Q04759 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 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
SCHEMBL18042582 1.00 PARP1 (0.45) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL18057557 0.91 KDM4E (0.45) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL30287945 0.91 KDM4E (0.47) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL17254907 0.91 KDM4E (0.47) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL18042590 0.90 KDM4E (0.47) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL17254979 0.90 ALDH1A1 (0.44) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL18042591 0.89 KDM4E (0.43) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL30287931 0.89 KDM4E (0.43) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL30168034 0.89 KDM4E (0.43) PARP1KDM4EALDH1A1HTR3AHRH4
SCHEMBL17255052 0.89 ALDH1A1 (0.43) PARP1KDM4EALDH1A1HTR3AHRH4

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-3219716-B1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM PIMERA INC (US) 2024-12-25 — — EP disclosed
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