SCHEMBL27588592

SCHEMBL27588592

NCc1cccc(CC2=CC=N[N]2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ LOXL2 Q9Y4K0 4/20 0.39
▸ PRMT6 Q96LA8 1/20 0.38
▸ NOS1 P29475 6/20 0.37
▸ NOS2 P35228 6/20 0.37
▸ NOS3 P29474 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NCF1 P14598 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ TLR8 Q9NR97 3/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL27606385 0.85 HRH3 (0.39) LOXL2
SCHEMBL27588582 0.83 MAOB (0.43) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL27606468 0.79 ENPP2 (0.44) ENPP2ALDH1A1CYP3A4NFKB1
SCHEMBL27606407 0.79 ALDH1A1 (0.40) NOS1NOS2ALDH1A1TLR8
SCHEMBL486262 0.77 CALM1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL20961846 0.74 LOXL2 (0.60) PNMTENPP2LOXL2PRMT6NOS1
SCHEMBL27588484 0.72 CDK8 (0.42) PNMTENPP2LOXL2PRMT6NOS1
SCHEMBL30350846 0.72 LOXL2 (0.63) PNMTENPP2LOXL2PRMT6NOS1
SCHEMBL36008 0.72 LOXL2 (0.71) PNMTENPP2LOXL2PRMT6NOS1
SCHEMBL10422276 0.72 LOXL2 (0.71) PNMTENPP2LOXL2PRMT6NOS1

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-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 — — CN disclosed
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