SCHEMBL24314196

SCHEMBL24314196

Cc1cc(C(C)(C)C)ccc1OCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
RECQL P46063 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
SSTR4 P31391 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
G6PD P11413 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
VDR P11473 5/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL13997365 0.89 MRGPRX4 (0.50) KDM4EALDH1A1MRGPRX4SSTR4KMT2A
SCHEMBL20347963 0.84 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL4859856 0.84 KDM4E (0.42) KDM4ERECQLALDH1A1SSTR4KMT2A
SCHEMBL29469845 0.83 KDM4E (0.41) KDM4ERECQLALDH1A1SMN1; SMN2KMT2A
SCHEMBL24314198 0.83 KDM4E (0.41) KDM4ERECQLALDH1A1SMN1; SMN2KMT2A
SCHEMBL19489148 0.82 SSTR4 (0.50) KDM4EMRGPRX4SSTR4MAPTL3MBTL1
SCHEMBL12017707 0.81 L3MBTL1 (0.46) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMT2A
SCHEMBL20347950 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1USP2
SCHEMBL2031055 0.80 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14409249 0.80 SSTR4 (0.46) KDM4EALDH1A1SMN1; SMN2MRGPRX4SSTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed