SCHEMBL21787276

SCHEMBL21787276

CCOC(=O)C(C)Cc1c(F)cccc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PIN1 Q13526 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 2/20 0.37
MMP8 P22894 2/20 0.37
PPARG P37231 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21777424 0.81 KMT2A (0.41) KMT2AALDH1A1KDM4EALOX15TDP1
SCHEMBL21787513 0.81 KMT2A (0.41) KMT2AALDH1A1KDM4EALOX15TDP1
SCHEMBL3622900 0.78 NLRP3 (0.48) KMT2AALDH1A1KDM4EALOX15TDP1
SCHEMBL8437061 0.76 EPHX2 (0.49) KMT2AALDH1A1PIN1POLBTSHR
SCHEMBL5736978 0.75 KMT2A (0.50) KMT2AALDH1A1KDM4EALOX15TDP1
SCHEMBL4035939 0.75 MMP8 (0.49) KMT2AALDH1A1TDP1PIN1TSHR
SCHEMBL30116829 0.75 EED (0.38) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL3953513 0.74 EED (0.40) ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9780837 0.74 KMT2A (0.49) KMT2AALDH1A1KDM4EALOX15TDP1
SCHEMBL9780828 0.74 KMT2A (0.49) KMT2AALDH1A1KDM4EALOX15TDP1

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-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO disclosed