SCHEMBL3687530

SCHEMBL3687530

COc1ccc(C(C)(C)C)cc1C=CC(=O)c1ccccc1N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
HDAC3 O15379 4/20 0.53
HDAC4 P56524 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
MAOB P27338 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3685949 0.88 CAPN1 (0.47) PTPN1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL3686266 0.88 PDE4A (0.43) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3693475 0.88 SMN1; SMN2 (0.46) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3687529 0.88 SMN1; SMN2 (0.46) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3687761 0.85 HTR1A (0.44) PTPN1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3686263 0.80 HTR1A (0.43) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3692486 0.80 HTR1A (0.43) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3685946 0.80 CHRNA7 (0.44) PTPN1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL3692417 0.80 CHRNA7 (0.44) PTPN1MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL3692364 0.79 HTR1A (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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 7 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed