SCHEMBL7074846

SCHEMBL7074846

O=C(Cl)Oc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
POLB P06746 2/20 0.60
TP53 P04637 1/20 0.60
GAA P10253 2/20 0.59
KMT2A Q03164 4/20 0.56
ALOX15 P16050 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 3/20 0.56
HPGD P15428 3/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 5/20 0.55
TSHR P16473 5/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL1855445 0.85 LMNA (0.62) LMNAPOLBTP53GAAKMT2A
SCHEMBL2900297 0.84 LMNA (0.60) LMNAPOLBTP53GAAKMT2A
SCHEMBL27598271 0.82 LMNA (0.59) LMNAPOLBTP53GAAKMT2A
SCHEMBL26250266 0.81 TSHR (0.57) LMNAPOLBTP53GAAKMT2A
SCHEMBL4758947 0.79 LMNA (0.65) LMNAPOLBTP53GAAKMT2A
SCHEMBL14838471 0.79 LMNA (0.50) LMNAPOLBTP53GAAKMT2A
SCHEMBL16011210 0.79 LMNA (0.50) LMNAPOLBTP53GAAKMT2A
SCHEMBL28363239 0.79 LMNA (0.56) LMNAPOLBTP53GAAKMT2A
SCHEMBL12216197 0.79 LMNA (0.56) LMNAPOLBTP53GAAKMT2A
SCHEMBL1744782 0.78 RAB9A (0.66) LMNAPOLBTP53GAAKMT2A

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
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-5180419-A Herbicidal 2-(2-imidazolin-2-yl)-benzo-(5-membered)-heterocycles and the use thereof AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed