SCHEMBL7172986

SCHEMBL7172986

Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1.[CH]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.96
LMNA P02545 4/20 0.96
CYP2C9 P11712 1/20 0.96
TSHR P16473 1/20 0.96
APEX1 P27695 1/20 0.96
MAPK1 P28482 1/20 0.80
LIPE Q05469 4/20 0.58
BCHE P06276 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
IP6K1 Q92551 1/20 0.48
IP6K3 Q96PC2 1/20 0.48
IP6K2 Q9UHH9 1/20 0.48
DRD1 P21728 1/20 0.45
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL240269 0.98 SMN1; SMN2 (1.00) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL29494845 0.98 SMN1; SMN2 (1.00) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL8686510 0.89 SMN1; SMN2 (0.83) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL12386871 0.89 LMNA (0.83) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL5647172 0.89 MAPK1 (1.00) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL10854830 0.88 MAPK1 (0.97) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL5646896 0.85 SMN1; SMN2 (0.75) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL10954112 0.84 SMN1; SMN2 (0.73) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL5648867 0.83 SMN1; SMN2 (0.72) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL11016705 0.83 SMN1; SMN2 (0.72) SMN1; SMN2LMNACYP2C9TSHRAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579686-B2 Detecting modulators of clotrimazole binding; mix modulator, clotrimazole and receptor, determine amount of clotrimazole bound to receptor, reduction in clotrimazole binding indicate a modulator of binding activity SMITHKLINE BEECHAM CORPORATION 2003-06-17 US disclosed
US-20010055815-A1 Constitutive androstane receptor COLLINS JON L (US) 2001-12-27 US disclosed
WO-2001071361-A2 CONSTITUTIVE ANDROSTANE RECEPTOR GLAXO GROUP LIMITED (GB) 2001-09-27 WO disclosed