SCHEMBL1701249

SCHEMBL1701249

Cc1c(-c2cccs2)n[nH]c1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALPL P05186 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RPS6KB2 Q9UBS0 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 1/20 0.39
AHR P35869 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GAA P10253 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL624711 0.75 MEN1 (0.45) KDM4EALDH1A1ALPLHPGDHSD17B10
SCHEMBL5210609 0.71 SMN1; SMN2 (0.49) KDM4EALDH1A1ALPLHPGDHSD17B10
SCHEMBL1701209 0.70 HSP90AA1 (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL1701438 0.70 HTR7 (0.41) KDM4EHPGDMAPTAPOBEC3GTDP1
SCHEMBL28454459 0.68 RPS6KB2 (0.50) KDM4EALDH1A1HPGDHSD17B10RPS6KB2
SCHEMBL2591881 0.68 MAPT (0.45) KDM4EALDH1A1ALPLHPGDHSD17B10
SCHEMBL26672756 0.68 GPR119 (0.59) KDM4EALDH1A1ALPLHPGDHSD17B10
SCHEMBL2585043 0.67 TTK (0.40) KDM4EALDH1A1HPGDHSD17B10ADORA2A
SCHEMBL11624487 0.66 RPS6KB2 (0.44) KDM4EALDH1A1ALPLHPGDHSD17B10
SCHEMBL1701865 0.65 FYN (0.43) KDM4EALDH1A1ALPLHPGDHSD17B10

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
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 EP disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed