SCHEMBL14028532

SCHEMBL14028532

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3ccccc3O)nc3c2CNC(=S)N3)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.44
SMARCA4 P51532 2/20 0.44
PBRM1 Q86U86 2/20 0.44
HPGDS O60760 2/20 0.40
IKBKB O14920 1/20 0.39
PRMT5 O14744 2/20 0.39
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
HSD11B1 P28845 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL14028529 0.91 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL4939767 0.85 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL4942466 0.84 IKBKB (0.45) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL4939775 0.84 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL7025589 0.82 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL4944898 0.80 HPGD (0.47) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL14046508 0.79 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL14028510 0.78 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1HPGDSIKBKB
SCHEMBL4942443 0.78 IKBKB (0.41) SMARCA2SMARCA4PBRM1IKBKB
SCHEMBL14028531 0.77 IKBKB (0.55) IKBKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed