SCHEMBL19254599

SCHEMBL19254599

CCC(C)(C)c1cccc(C(=O)NO)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.57
HDAC6 Q9UBN7 6/20 0.57
KDM4E B2RXH2 1/20 0.50
EGLN2 Q96KS0 1/20 0.50
HDAC3 O15379 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HDAC1 Q13547 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
HDAC11 Q96DB2 1/20 0.47
SMPD1 P17405 3/20 0.47
BRAF P15056 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL12201883 0.83 HDAC8 (0.77) HDAC8HDAC6KDM4EEGLN2HDAC3
SCHEMBL3433869 0.81 KIF11 (0.49) ALDH1A1POLBBRAFSMN1; SMN2
SCHEMBL120251 0.81 NPC1 (0.64) POLBKMT2A
SCHEMBL12229090 0.81 SMYD3 (0.55) KDM4EALDH1A1POLBTAS1R3TAS1R1
SCHEMBL1787753 0.81 LOXL2 (0.51) KDM4EALDH1A1POLBBRAF
SCHEMBL1696789 0.80 PARP1 (0.50) ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL27886595 0.77 NPC1 (0.49) ALDH1A1POLBTAS1R3TAS1R1BRAF
SCHEMBL13227566 0.76 AKT1 (0.46) KDM4EALDH1A1POLBTAS1R3TAS1R1
SCHEMBL1788857 0.76 CYP4F2 (0.51) KDM4EALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL13969558 0.76 HPGD (0.59) HDAC8ALDH1A1POLBMEN1KMT2A

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-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed