SCHEMBL15919478

SCHEMBL15919478

CC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)NCC(N)C(=O)O)cc3Cl)cc2)nc2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2B P67870 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 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
SCHEMBL15919652 0.93 LMNA (0.36) RAD52UBE2NMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL17313777 0.92 LMNA (0.36) RAD52UBE2NMEN1KMT2AMAPT
SCHEMBL17327547 0.91 POLB (0.33) RAD52UBE2NMEN1KMT2AMAPT
SCHEMBL15919724 0.86 ESR1 (0.33) ESR1ESR2DHODHMAPT
SCHEMBL15919298 0.81 TACR3 (0.36) RAD52UBE2NDHODHMAPTMAPK1
Hydrochloric Acid SCHEMBL17313841 0.81 TACR3 (0.35) RAD52UBE2NDHODHMAPTMAPK1
SCHEMBL15919401 0.81 TACR3 (0.38) MEN1KMT2AMAPTLMNATSHR
SCHEMBL17327500 0.80 TACR3 (0.34) RAD52UBE2NDHODHMEN1KMT2A
SCHEMBL15919623 0.79 CA2 (0.42) MAPTLMNATSHR
SCHEMBL15919475 0.79 EGLN2 (0.38) MEN1KMT2AMAPTLMNA

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-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 — — WO disclosed
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