SCHEMBL6979531

SCHEMBL6979531

O=S(=O)(Nc1ccc2c(c1)NCCC2)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 4/20 0.49
GFER P55789 2/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
RORC P51449 1/20 0.48
BRD4 O60885 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
EIF2AK2 P19525 1/20 0.46
NLRP3 Q96P20 1/20 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
SCHEMBL6984820 0.89 HTR6 (0.61) HTR6SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL31681377 0.82 EIF2AK2 (0.54) HTR6SMN1; SMN2LMNAALDH1A1THRB
SCHEMBL12375664 0.81 GFER (0.47) SMN1; SMN2LMNAKMT2AKDM4EALDH1A1
SCHEMBL7982796 0.81 HTR6 (0.68) HTR6SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL6984749 0.81 MLNR (0.50) KMT2AKDM4EALDH1A1BRD4HPGD
SCHEMBL10959038 0.79 PKM (0.58) HTR6SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL5871138 0.78 SMN1; SMN2 (0.69) HTR6SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL2229992 0.78 HTR2C (0.61) SMN1; SMN2KMT2AALDH1A1BRD4HTR2C
Hydrochloric Acid SCHEMBL10957321 0.78 PKM (0.57) HTR6SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL19329330 0.77 HDAC3 (0.46) SMN1; SMN2LMNAKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed