SCHEMBL7416207

SCHEMBL7416207

O=C(O)C(Nc1ccccc1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP19A1 P11511 2/20 0.50
SIRT1 Q96EB6 2/20 0.50
PTPN1 P18031 3/20 0.48
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL3271860 0.84 EPHX2 (0.64) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL3271863 0.84 EPHX2 (0.64) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL28249754 0.77 MAPT (0.44) SMN1; SMN2TSHRMEN1KMT2ACYP19A1
SCHEMBL5895657 0.75 KMT2A (0.59) EPHX1SMN1; SMN2TP53MEN1NPC1
SCHEMBL9112947 0.75 NAPRT (0.54) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL9112963 0.75 NAPRT (0.54) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL4214608 0.73 NAPRT (0.57) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL24202631 0.73 SIRT1 (0.83) SMN1; SMN2MEN1NPC1RAB9AKMT2A
N-Phenylbenzamide SCHEMBL5402750 0.73 SIRT1 (0.83) SMN1; SMN2MEN1NPC1RAB9AKMT2A
N-Phenylbenzamide SCHEMBL31966 0.73 SIRT1 (0.83) SMN1; SMN2MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673936-B1 Antithrombotic agents LILLY CO ELI (US) 2001-02-07 EP disclosed
EP-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0542525-B1 Antithrombotic agents LILLY CO ELI (US) 1998-07-08 EP disclosed
US-5484772-A ARGININE ALDEHYDE COMPOUNDS AS ANTICOAGULANTS OR TREATMENT OF THROMBOEMBOLITIC AGENTS ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
EP-0673936-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-27 EP disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP disclosed
US-5436229-A Di- and tripeptides as anticoagulants ELI LILLY AND COMPANY (US) 1995-07-25 US disclosed
US-5416093-A DIPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1995-05-16 US disclosed
EP-0542525-A2 Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-05-19 EP disclosed