SCHEMBL11795232

SCHEMBL11795232

CC(Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
USP2 O75604 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
HIF1A Q16665 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CA2 P00918 2/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
SLC12A2 P55011 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SLC6A4 P31645 1/20 0.53
AQP1 P29972 1/20 0.46
PTGS2 P35354 6/20 0.45
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX4 Q99571 1/20 0.40

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
SCHEMBL9737275 0.91 KDM4E (0.57) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL9738323 0.85 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL574228 0.83 ALDH1A1 (0.69) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL2741892 0.81 KDM4E (0.67) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL10224099 0.81 KDM4E (0.80) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11456584 0.80 CA2 (0.74) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11456213 0.79 CA2 (0.61) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11841124 0.79 KDM4E (0.88) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11844037 0.78 KDM4E (0.72) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11789130 0.78 KDM4E (0.78) KDM4EUSP2ALDH1A1LMNAHPGD

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-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed