SCHEMBL3683358

SCHEMBL3683358

COc1ccc(C(=O)C=Cc2cc(-c3ccccc3OC)ccc2N2CCN(C)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
RELA Q04206 6/20 0.45
NPY2R P49146 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
TNFRSF1A P19438 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL3688840 0.93 FGFR1 (0.45) FGFR1FGFR2RELANPY2RKEAP1
SCHEMBL3688449 0.88 MAOB (0.55) KEAP1NFE2L2TNFRSF1AMEN1KMT2A
SCHEMBL3686111 0.87 KRAS (0.47) FGFR1FGFR2RELANPY2RTNFRSF1A
SCHEMBL3686880 0.86 KEAP1 (0.43) RELANPY2RKEAP1NFE2L2TNFRSF1A
SCHEMBL3688318 0.85 NPY2R (0.46) FGFR1FGFR2NPY2RTNFRSF1AMEN1
SCHEMBL3687111 0.84 TUBB1 (0.53) NPY2RTNFRSF1AMEN1KMT2AALDH1A1
SCHEMBL3683355 0.84 TUBB1 (0.53) NPY2RTNFRSF1AMEN1KMT2AALDH1A1
SCHEMBL3686603 0.84 NR1H4 (0.47) FGFR1FGFR2NPY2RMEN1KMT2A
SCHEMBL3694917 0.84 LMNA (0.48) NPY2RTNFRSF1AMEN1KMT2AKDM4E
SCHEMBL14280887 0.84 LMNA (0.48) NPY2RTNFRSF1AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed