SCHEMBL7783640

SCHEMBL7783640

Cc1cc(-c2ccc(S(C)(=O)=O)cc2C(=O)NC(=N)N)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.35
LMNA P02545 1/20 0.35
SLC6A9 P48067 4/20 0.34
BRD4 O60885 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
USP28 Q96RU2 4/20 0.33
CAMKK2 Q96RR4 1/20 0.33
CHUK O15111 1/20 0.33
TDO2 P48775 1/20 0.32
PTGS2 P35354 2/20 0.32
GHSR Q92847 1/20 0.31
KDM1A O60341 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7125185 0.79 TDP1 (0.42) LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL8804424 0.77 TDP1 (0.41) LMNAMEN1KMT2A
SCHEMBL21884475 0.76 LMNA (0.42) IKBKBLMNACHUKKDM1AMEN1
Hydrochloric Acid SCHEMBL8803119 0.74 LMNA (0.57) LMNAUSP28GHSRMEN1KMT2A
Hydrochloric Acid SCHEMBL8804082 0.70 SLC6A9 (0.54) LMNASLC6A9
SCHEMBL5173577 0.66 SMN1; SMN2 (0.56) LMNAKDM1AMEN1KMT2A
Hydrochloric Acid SCHEMBL8805378 0.66 LMNA (0.40) LMNAUSP28GHSRMEN1KMT2A
Hydrochloric Acid SCHEMBL8815239 0.65 SMN1; SMN2 (0.55) LMNAKDM1AMEN1KMT2A
Hydrochloric Acid SCHEMBL27677990 0.65 F10 (0.34) LMNAGHSR
Hydrochloric Acid SCHEMBL8803089 0.65 LMNA (0.40) LMNAUSP28PTGS2GHSRMEN1

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-1140056-A2 THE UTILISATION OF INHIBITORS OF THE SODIUM HYDROGEN EXCHANGER FOR PRODUCING A MEDICAMENT FOR PREVENTING ORGAN DYSFUNCTIONS AND DISEASES RELATED TO A PARTICULAR AGE AND FOR PROLONGING LIFE Aventis Pharma Deutschland GmbH (DE) 2001-10-10 EP claimed
WO-2000038661-A2 THE UTILISATION OF INHIBITORS OF THE SODIUM HYDROGEN EXCHANGER FOR PRODUCING A MEDICAMENT FOR PREVENTING ORGAN DYSFUNCTIONS AND DISEASES RELATED TO A PARTICULAR AGE AND FOR PROLONGING LIFE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-07-06 WO claimed