SCHEMBL7327634

SCHEMBL7327634

N=C(N)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PRSS1 P07477 2/20 0.41
F2 P00734 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
KLK5 Q9Y337 1/20 0.38
MAPT P10636 1/20 0.36
F10 P00742 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL9715221 0.99 HPGD (0.45) HPGDALDH1A1MEN1KMT2APRSS1
SCHEMBL16450930 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTF10
SCHEMBL15907989 0.82 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL3686150 0.82 ALDH1A1 (0.51) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL20133945 0.82 ALDH1A1 (0.43) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL300884 0.81 CA12 (0.42) HPGDALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7910504 0.81 ALDH1A1 (0.43) HPGDALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7910402 0.81 ALDH1A1 (0.43) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL27807368 0.80 PARP10 (0.42) HPGDALDH1A1KMT2AF2MAPT
SCHEMBL9715241 0.80 F2 (0.38) PRSS1F2PRSS2PRSS3ST14

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