SCHEMBL11513619

SCHEMBL11513619

COC(C(C)=O)C(=O)Nc1ccc2c(c1)C(C)(C)CN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 4/20 0.42
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
CIT O14578 1/20 0.35
MAP3K7 O43318 1/20 0.35
RIPK2 O43353 1/20 0.35
STK10 O94804 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
YES1 P07947 1/20 0.35

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
SCHEMBL5734170 0.81 HSPA9 (0.49) HSPA9HDAC3HDAC4HDAC1HDAC2
SCHEMBL11810345 0.70 RARB (0.44) HSPA9KMT2AMEN1RARARARB
SCHEMBL5928883 0.67 HSD17B10 (0.58) KMT2AMEN1ALDH1A1MAPTCYP3A4
SCHEMBL587395 0.67 MAPT (0.59) HDAC2KMT2AMEN1ALDH1A1LMNA
SCHEMBL27731438 0.67 ALDH1A1 (0.52) HDAC6KMT2AMEN1ALDH1A1LMNA
SCHEMBL8752430 0.66 HPGD (0.55) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL1255273 0.66 ALDH1A1 (0.60) KMT2AALDH1A1MAPT
SCHEMBL31456579 0.65 RARB (0.53) KMT2AMEN1ALDH1A1RARARARB
SCHEMBL5540115 0.64 AR (0.36) HSPA9KMT2AMEN1RARARARB
SCHEMBL9382451 0.63 HDAC3 (0.65) HSPA9HDAC3HDAC4HDAC1HDAC2

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-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed