SCHEMBL8069814

SCHEMBL8069814

CC1(C)Oc2cc(Cl)c(C#N)cc2CC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.35
AR P10275 4/20 0.33
PGK1 P00558 1/20 0.33
GPR35 Q9HC97 1/20 0.33
VCAM1 P19320 1/20 0.32
MAT2A P31153 1/20 0.32
KMO O15229 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP11B2 P19099 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8645380 0.74 KDM4E (0.41) KDM4EALDH1A1HPGD
SCHEMBL6561118 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDGAA
SCHEMBL8069752 0.69 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL9692443 0.65 KDM4E (0.44) KDM4EALDH1A1HPGD
SCHEMBL11697440 0.64 SMN1; SMN2 (0.37) KDM4EALDH1A1PKMPGK1VCAM1
SCHEMBL7659637 0.63 ALDH1A1 (0.45) KDM4EALDH1A1HPGD
SCHEMBL28468504 0.63 HCAR3 (0.36)
SCHEMBL8069868 0.63 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPGK1SMN1; SMN2
SCHEMBL10979117 0.62 MAPT (0.47) KDM4EALDH1A1HPGDPGK1VCAM1
SCHEMBL8076721 0.62 TLR3 (0.39) ARMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071953-A Sulfonamide-substituted chromans, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-06 US disclosed
EP-0860440-A1 Sulfonamido substituted chromane derivatives with potassium channel blocking activity HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed