SCHEMBL23607223

SCHEMBL23607223

COC(=O)c1cc(C2=CCNCC2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.46
▸ SIGMAR1 Q99720 2/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ BAZ2A Q9UIF9 1/20 0.41
▸ HTR2C P28335 7/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NAMPT P43490 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ P2RY14 Q15391 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
SCHEMBL3168588 0.77 HTR2C (0.54) QDPRSIGMAR1HTR2CNAMPT
SCHEMBL31704650 0.77 ATM (0.48) QDPRSIGMAR1HTR2C
SCHEMBL31705007 0.77 HTR2C (0.54) QDPRSIGMAR1HTR2CNAMPT
SCHEMBL18715828 0.77 QDPR (0.56) QDPRSIGMAR1HTR2CALDH1A1KDM4E
SCHEMBL30798421 0.75 QDPR (0.56) QDPRSIGMAR1HTR2CNAMPTFTO
SCHEMBL29152557 0.75 QDPR (0.56) QDPRSIGMAR1HTR2CNAMPTFTO
SCHEMBL31705952 0.74 QDPR (0.45) QDPRSIGMAR1HTR2CNAMPTFTO
SCHEMBL31706748 0.73 QDPR (0.50) QDPRSIGMAR1HTR2C
SCHEMBL31706054 0.73 QDPR (0.44) QDPRSIGMAR1HTR2CALDH1A1KDM4E
SCHEMBL31705055 0.73 QDPR (0.44) QDPRSIGMAR1HTR2CALDH1A1KDM4E

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
WO-2021133917-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 — — WO disclosed
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