SCHEMBL11016705

SCHEMBL11016705

Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
TSHR P16473 3/20 0.72
LMNA P02545 1/20 0.72
CYP2C9 P11712 1/20 0.72
APEX1 P27695 1/20 0.72
MAPK1 P28482 1/20 0.62
NR4A1 P22736 1/20 0.50
LIPE Q05469 4/20 0.48
BCHE P06276 1/20 0.44
DRD1 P21728 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
IP6K1 Q92551 2/20 0.40
IP6K3 Q96PC2 2/20 0.40
IP6K2 Q9UHH9 2/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL29494845 0.84 SMN1; SMN2 (1.00) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL240269 0.84 SMN1; SMN2 (1.00) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL470941 0.83 SMN1; SMN2 (0.60) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL7172986 0.83 SMN1; SMN2 (0.96) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL9027467 0.81 CYP1A2 (0.64) SMN1; SMN2LMNALIPECYP3A4CYP1A2
SCHEMBL11011256 0.81 TSHR (0.57) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL8686510 0.77 SMN1; SMN2 (0.83) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL5647172 0.77 MAPK1 (1.00) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL12386871 0.77 LMNA (0.83) SMN1; SMN2TSHRLMNACYP2C9APEX1
SCHEMBL10854830 0.75 MAPK1 (0.97) SMN1; SMN2TSHRLMNACYP2C9APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4544400-A HERBICIDES ZOECON CORPORATION (US) 1985-10-01 US disclosed