SCHEMBL19369014

SCHEMBL19369014

CNC(=O)c1cccc(-c2ccc(C(C)C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.54
CYP17A1 P05093 1/20 0.53
CYP3A4 P08684 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
UTS2R Q9UKP6 3/20 0.49
CDK8 P49336 1/20 0.49
PTPN5 P54829 1/20 0.49
NR4A2 P43354 1/20 0.48
PDK2 Q15119 1/20 0.48

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
SCHEMBL9056834 0.85 CRBN (0.61) CRBNCYP17A1CYP3A4HDAC8HDAC6
SCHEMBL13702375 0.85 HDAC8 (0.68) CRBNCYP17A1CYP3A4HDAC8HDAC6
SCHEMBL723332 0.83 HDAC8 (0.70) CRBNHDAC8HDAC6CDK8PDK2
SCHEMBL19391346 0.83 HDAC2 (0.53) HDAC8HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL24807366 0.83 KIF11 (0.45) RXRARXRBRXRGHDAC8HDAC6
SCHEMBL14210412 0.82 CRBN (0.58) CRBNCYP17A1CYP3A4HDAC8HDAC6
SCHEMBL15638622 0.82 MEN1 (0.62) CRBNCYP17A1CYP3A4HDAC8HDAC6
SCHEMBL2627836 0.82 RXRA (0.71) RXRARXRBRXRGPTPN5ERN1
SCHEMBL276759 0.82 HDAC8 (0.59) CYP3A4RXRARXRBRXRGHDAC8
SCHEMBL12168604 0.81 EPHX2 (0.60) CRBNRXRARXRBRXRGHDAC8

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
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed