SCHEMBL6853742

SCHEMBL6853742

COC(=O)Cc1ccc(C(N2CCCC2)n2c(=O)c3cc(Br)ccc3n3cnnc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
IDH1 O75874 3/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
CASP3 P42574 1/20 0.31
CDK1 P06493 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6855372 0.90 CNR2 (0.32) SMN1; SMN2CNR1CNR2MEN1KMT2A
SCHEMBL6855687 0.90 CNR2 (0.33) SMN1; SMN2CNR1CNR2MEN1KMT2A
SCHEMBL6850047 0.90 HPGD (0.32) SMN1; SMN2CNR1CNR2MEN1KMT2A
SCHEMBL6855394 0.88 SIGMAR1 (0.34) MEN1KMT2A
SCHEMBL6854445 0.88 SLC6A2 (0.35) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7026872 0.82 TP53 (0.34) MAPT
SCHEMBL6854194 0.81 APEX1 (0.36) SMN1; SMN2POLBCNR1CNR2LMNA
SCHEMBL6854985 0.81 PIK3R1 (0.34)
SCHEMBL6854989 0.80 PIK3R1 (0.33) LMNATSHR
SCHEMBL6850159 0.78 SLC6A2 (0.35) SMN1; SMN2LMNAKMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed