SCHEMBL3401906

SCHEMBL3401906

O=C(O)c1c[nH]c2cc(N3CCCC3)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 8/20 0.48
POLB P06746 2/20 0.48
HSP90AA1 P07900 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 7/20 0.47
HSD17B10 Q99714 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
PTPN7 P35236 1/20 0.47
LMNA P02545 4/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2B Q02880 1/20 0.47
BRD4 O60885 1/20 0.47
HTT P42858 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
SCHEMBL17475410 0.99 KDM4E (0.51) KDM4EALDH1A1POLBHSP90AA1RXFP1
Cyclopropane SCHEMBL3447310 0.90 ALDH1A1 (0.56) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL3341252 0.90 KDM4E (0.58) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL10743065 0.90 KDM4E (0.50) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9379704 0.89 ALDH1A1 (0.58) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL5307312 0.89 KDM4E (0.49) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9626251 0.87 KDM4E (0.47) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL21111089 0.84 HSD17B10 (0.51) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9432313 0.83 TOP1 (0.53) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9432318 0.83 TOP1 (0.53) KDM4EALDH1A1POLBHPGDHSD17B10

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-20100094230-A1 POLYMER MOLDING COMPOUNDS CONTAINING PARTIALLY NEUTRALIZED AGENTS BAYER INNOVATION GMBH (DE) 2010-04-15 US disclosed