SCHEMBL22632114

SCHEMBL22632114

O=CNCCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.55
▸ ALDH1A1 P00352 10/20 0.55
▸ MEN1 O00255 9/20 0.55
▸ KDM4E B2RXH2 8/20 0.55
▸ USP2 O75604 7/20 0.55
▸ MAPT P10636 6/20 0.55
▸ GAA P10253 6/20 0.55
▸ LMNA P02545 5/20 0.55
▸ CASP1 P29466 5/20 0.55
▸ CASP7 P55210 5/20 0.55
▸ HPGD P15428 4/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ GLA P06280 2/20 0.55
▸ ATM Q13315 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ KEAP1 Q14145 1/20 0.55
▸ NFE2L2 Q16236 1/20 0.55
▸ GPR35 Q9HC97 1/20 0.55

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
SCHEMBL14303304 0.87 KMT2A (0.60) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL22632115 0.83 ALDH1A1 (0.56) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL3202594 0.83 KMT2A (0.61) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL24623305 0.83 ALDH1A1 (0.64) KMT2AALDH1A1MEN1KDM4EUSP2
Hydrochloric Acid SCHEMBL31718750 0.82 KMT2A (0.60) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL903151 0.82 ALDH1A1 (0.68) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL24623962 0.82 KMT2A (0.60) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL24623242 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL1213320 0.81 KMT2A (0.63) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL1212238 0.81 ALDH1A1 (0.63) KMT2AALDH1A1MEN1KDM4EUSP2

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-2020223174-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER HEALTH RESEARCH, INC. (US) 2020-11-05 — — WO disclosed
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