SCHEMBL7328644

SCHEMBL7328644

N=C(N)Cc1ccc(C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
PRSS1 P07477 2/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
C1S P09871 1/20 0.53
PARP10 Q53GL7 5/20 0.50
CYP17A1 P05093 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
PARP1 P09874 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
Hydrochloric Acid SCHEMBL7287603 0.83 F2 (0.55) PRSS1PRSS2PRSS3F2PLG
SCHEMBL4134122 0.82 CA2 (0.64) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL21169926 0.82 PRSS1 (0.49) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL4022608 0.80 PLA2G10 (0.61) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL2699985 0.79 LOXL2 (0.62) KMT2AALDH1A1MAPTTSHRHSD17B10
SCHEMBL7149167 0.78 PLA2G10 (0.53) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL9449832 0.78 PLA2G10 (0.53) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL28151928 0.78 PLA2G10 (0.53) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL2643786 0.77 PLA2G10 (0.57) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL7134591 0.77 PLA2G10 (0.83) PLA2G10PLA2G2APARP10CYP17A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343894-B1 BENZAMIDE PROTEASE INHIBITORS PFIZER INC. (US) 1992-06-10 EP disclosed
US-4948901-A ANTI-PLASMIN AND ANTI-THROMBIN AGENTS PFIZER INC. (US) 1990-08-14 US disclosed
US-4948891-A ANTI-PLASMIN AND ANTI-THROMBIN AGENTS PFIZER INC. (US) 1990-08-14 US disclosed
EP-0343894-A1 Benzamide protease inhibitors PFIZER INC. (US) 1989-11-29 EP disclosed
US-4874864-A ANTIPLASMIN, ANTITHROMBIN AGENTS PFIZER INC. (US) 1989-10-17 US disclosed