SCHEMBL7423714

SCHEMBL7423714

O=S(=O)(Cl)c1cccc2c1NCCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
F2 P00734 2/20 0.43
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC13A5 Q86YT5 1/20 0.34
MAPT P10636 2/20 0.33
HDAC4 P56524 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PARP1 P09874 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
TSHR P16473 1/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL17492502 0.90 PARP1 (0.38) SRCF2MAPTPARP1TRPV4
SCHEMBL525390 0.83 SRC (0.50) SRCF2CA12CA1CA2
SCHEMBL17458779 0.83 SRC (0.47) SRCF2CA12CA1CA2
SCHEMBL29469805 0.83 SRC (0.47) SRCF2CA12CA1CA2
Hydrochloric Acid SCHEMBL8986751 0.82 SRC (0.49) SRCF2CA12CA1CA2
SCHEMBL7867515 0.81 SRC (0.44) SRCF2CA12CA1CA2
SCHEMBL13696856 0.80 F2 (0.44) SRCF2CA12CA1CA2
SCHEMBL6359546 0.77 SRC (0.53) SRCF2CA12CA1CA2
SCHEMBL6535829 0.74 KMT2A (0.58) SRCF2CA1CA2KMT2A
SCHEMBL5759503 0.73 SRC (0.49) SRCSLC13A5MAPTHDAC4KMT2A

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
CN-101519429-B Solid phase method for synchronizing Argatroban SHENZHEN HYBIO PHARMACEUTICAL 2012-07-25 CN claimed
CN-101519429-A Solid phase method for synchronizing Argatroban SHENZHEN HYBIO ENGINEERING CO 2009-09-02 CN claimed
CN-101519429-B Solid phase method for synchronizing Argatroban SHENZHEN HYBIO PHARMACEUTICAL 2012-07-25 CN disclosed
CN-101519429-A Solid phase method for synchronizing Argatroban SHENZHEN HYBIO ENGINEERING CO 2009-09-02 CN disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed
US-5552410-A 1,2,3,4,-tetrahydroquinoline-8-sulphonic acid chlorides and acids, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1996-09-03 US disclosed
US-5552410-A 1,2,3,4,-tetrahydroquinoline-8-sulphonic acid chlorides and acids, their preparation and their use as synthetic intermediates SYNTHELABO (FR) 1996-09-03 US disclosed
CN-1076928-A 1-[2-arylsulfonyl amino)-and the 1-oxoethyl] piperidine derivative and preparation and the application in treatment SYNTHELABO (FR) 1993-10-06 CN disclosed