SCHEMBL7658519

SCHEMBL7658519

Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
NPC1 O15118 1/20 0.65
POLB P06746 1/20 0.63
KMT2A Q03164 3/20 0.63
ATM Q13315 2/20 0.63
ALDH1A1 P00352 3/20 0.61
ALOX15 P16050 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 3/20 0.60
GLA P06280 2/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.54
PRNP P04156 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL7868492 0.96 SMN1; SMN2 (0.67) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL7661299 0.96 SMN1; SMN2 (0.70) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL7668956 0.96 SMN1; SMN2 (0.70) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL7662844 0.95 SMN1; SMN2 (0.68) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL7668040 0.95 SMN1; SMN2 (0.68) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL7866697 0.93 SMN1; SMN2 (0.65) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL7870158 0.92 SMN1; SMN2 (0.64) SMN1; SMN2NPC1POLBKMT2AATM
Hydrochloric Acid SCHEMBL7861852 0.91 SMN1; SMN2 (0.63) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL6639122 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1POLBKMT2AATM
SCHEMBL6640535 0.81 LMNA (0.56) SMN1; SMN2NPC1POLBKMT2AATM

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-6417193-B1 ISOOXAZOLE CHLOROQUINOLONE DRUGS ANTICARCINOGENIC AGENTS AND ANTITUMOR AGENTS ELI LILLY AND COMPANY 2002-07-09 US disclosed
EP-1069897-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-01-24 EP disclosed
WO-1999051227-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 WO disclosed