SCHEMBL21391036

SCHEMBL21391036

COc1cc2nc(CCCCC(=O)C[C@@](C)(O)c3ccccc3)n(C3CCC3)c2cc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.35
ACSS2 Q9NR19 1/20 0.34
IDH1 O75874 7/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
SOS1 Q07889 1/20 0.32
ALOX5 P09917 1/20 0.32
APLNR P35414 2/20 0.32

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
SCHEMBL21391063 0.89 HDAC1 (0.36) HDAC1ACSS2
SCHEMBL21391060 0.89 HDAC1 (0.36) HDAC1ACSS2
SCHEMBL21391169 0.88 BRD4 (0.38) HDAC1IDH1
SCHEMBL21391035 0.85 HDAC1 (0.35) HDAC1IDH1
SCHEMBL21391170 0.83 KDM2B (0.33) ACSS2POLBSMN1; SMN2APLNR
SCHEMBL20110998 0.81 EGFR (0.38) ACSS2IDH1SOS1
SCHEMBL18791662 0.81 EGFR (0.38) ACSS2IDH1SOS1
SCHEMBL18791659 0.81 EGFR (0.38) ACSS2IDH1SOS1
SCHEMBL21390781 0.80 BRD4 (0.33) SMN1; SMN2APLNR
SCHEMBL21390669 0.80 CYP11B2 (0.39) HDAC1ACSS2

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed