SCHEMBL8317087

SCHEMBL8317087

O=C1C(Cl)=C(Cl)C(=O)N1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
DPP4 P27487 1/20 0.51
CA12 O43570 1/20 0.51
LMNA P02545 3/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
KCNN4 O15554 4/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NLRP3 Q96P20 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
SCHEMBL18669003 0.84 CA9 (0.61) ATMMAPTSMN1; SMN2CA9CA1
SCHEMBL8404372 0.82 CHRM5 (0.56) CA9CA1CA2KDM4EALDH1A1
SCHEMBL11099626 0.79 SMN1; SMN2 (0.58) ATMMAPTSMN1; SMN2CA9CA1
SCHEMBL1218585 0.77 CA1 (0.70) CA9CA1CA2ALDH1A1CA12
SCHEMBL4597340 0.76 CHRM5 (0.73) ATMMAPTCA9CA1CA2
SCHEMBL5049894 0.75 ELANE (0.64) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8871356 0.75 ATM (0.79) ATMMAPTSMN1; SMN2CA9CA1
SCHEMBL5769090 0.74 KCNN4 (0.51) ATMMAPTSMN1; SMN2CA9CA1
SCHEMBL22105400 0.74 KMT2A (0.70) ATMMAPTCA9CA1CA2
SCHEMBL24827438 0.74 KMT2A (0.58) ATMCA9CA1CA2CA12

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
EP-0630242-B1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY WELLCOME FOUND (GB) 1999-01-20 EP disclosed
US-5547976-A VIRICIDES, HERPES VIRUS, CYTOMEGALOVIRUS; CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. (US) 1996-08-20 US disclosed
EP-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
EP-0630242-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018766-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed