SCHEMBL8536744

SCHEMBL8536744

O=C(Oc1nccn1CCCCCCBr)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TLR8 Q9NR97 2/20 0.31
ESR1 P03372 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9711501 0.82 ALDH1A1 (0.38) ARG1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL1937006 0.78 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2ALDH1A1ESR1MAPT
SCHEMBL2285950 0.73 KMT2A (0.39) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1829860 0.72 ALDH1A1 (0.47) ARG1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL2488201 0.69 ALDH1A1 (0.39) ARG1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL1829325 0.68 ALDH1A1 (0.53) ARG1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL8307092 0.67 HSP90AA1 (0.45) KDM4ESMN1; SMN2
SCHEMBL27637354 0.65 TLR8 (0.68) ARG1ALDH1A1TLR8
SCHEMBL28280379 0.64 CA12 (0.52) LMNA
SCHEMBL28281481 0.64 CA12 (0.52) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 US disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 EP disclosed