SCHEMBL9136196

SCHEMBL9136196

Cc1nc2sccn2c(=O)c1CCN1CC2CC(c3ccc(N)cc3)C2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 6/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HTR1A P08908 3/20 0.47
▸ DRD2 P14416 3/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ DGKA P23743 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL8805781 0.91 MAPT (0.49) PKMTDP1TP53MAPTHTR1A
SCHEMBL8802868 0.91 PKM (0.58) PKMTDP1TP53MAPTHTR1A
SCHEMBL8804592 0.91 PKM (0.47) PKMTDP1TP53MAPTHTR1A
SCHEMBL8805519 0.91 TDP1 (0.52) PKMTDP1TP53MAPTHTR1A
Hydrochloric Acid SCHEMBL8807357 0.90 PKM (0.57) PKMTDP1TP53MAPTHTR1A
SCHEMBL8805082 0.90 PKM (0.48) PKMTDP1TP53MAPTHTR1A
SCHEMBL8804186 0.90 PKM (0.46) PKMTDP1TP53MAPTHTR1A
SCHEMBL8805214 0.90 PKM (0.46) PKMTDP1TP53MAPTHTR1A
SCHEMBL8804142 0.89 PKM (0.46) PKMTDP1TP53MAPTHTR1A
SCHEMBL9142476 0.89 MAPT (0.47) PKMTDP1TP53MAPTHTR1A

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
US-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 — — US disclosed
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