SCHEMBL6939799

SCHEMBL6939799

COc1ccc(C)c(NC(=O)CCl)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.59
LMNA P02545 3/20 0.54
ALDH1A1 P00352 5/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 3/20 0.51
CASP2 P42575 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL17536233 0.88 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2KMT2ANPSR1
SCHEMBL30021051 0.84 TDP1 (0.61) P2RX7LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL3757797 0.84 KMT2A (0.73) LMNAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL31554508 0.84 P2RX7 (0.59) P2RX7LMNAALDH1A1HTTKMT2A
SCHEMBL7930528 0.84 P2RX7 (0.59) P2RX7LMNAALDH1A1HTTKMT2A
SCHEMBL22897585 0.83 ALDH1A1 (0.51) P2RX7ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9095943 0.83 POLB (0.64) P2RX7LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL6689214 0.82 MAPT (0.57) P2RX7LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9095157 0.82 ALDH1A1 (0.61) P2RX7LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL3704664 0.82 GAA (0.61) P2RX7LMNAALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555541-B1 P2X7 receptor antagonists for treatment of inflammatory respiratory system disorders such as asthma; for example, 2-(3,4-Difluorophenylamino)-N-(2-methyl-5-piperazin-1-yl-methyl-phenyl) -acetamide, trihydrochloride ASTRAZENECA UK LIMITED (GB) 2003-04-29 US disclosed
EP-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP disclosed
EP-1185522-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2002-03-13 EP disclosed
US-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 US disclosed
WO-2000071529-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed
EP-1036058-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029660-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed