SCHEMBL6542282

SCHEMBL6542282

NC(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21.[CaH2]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNMA1 Q12791 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 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
SCHEMBL24921 0.99 MEN1 (0.42) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL9026507 0.98 MEN1 (0.41) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL4280650 0.98 MEN1 (0.41) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL8557974 0.98 MEN1 (0.41) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL10516186 0.87 MEN1 (0.43) MEN1KMT2AHTTTDP1KDM4E
SCHEMBL8467232 0.87 NOS3 (0.40) HTTKDM4ENPSR1RAB9ANPC1
SCHEMBL8817089 0.84 KDM4E (0.42) MEN1KMT2AHTTTDP1KDM4E
Masoprocol SCHEMBL6246633 0.84 KMT2A (0.37) MEN1KMT2AHTTTDP1CYP1A2
SCHEMBL7894146 0.84 AADAT (0.34) MEN1KMT2A
SCHEMBL9212414 0.83 HTT (0.40) MEN1KMT2AHTTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223809-A4 METHODS OF TREATING HAIR LOSS COMPRISING ADMINISTERING INDOLINE COMPOUND UNIV TEXAS SOUTHWESTERN MED CT (US) 2004-03-03 EP disclosed
EP-1223809-A1 METHODS OF TREATING HAIR LOSS COMPRISING ADMINISTERING INDOLINE COMPOUND UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-07-24 EP disclosed
WO-2001030151-A1 METHODS OF TREATING HAIR LOSS COMPRISING ADMINISTERING INDOLINE COMPOUND THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2001-05-03 WO disclosed
US-5968969-A BENZATHINE AND LIDOCAINE SALTS OF SELECTED CARBOXAMIDES FOR INTRA-ARTICULAR INJECTION PFIZER INC (US) 1999-10-19 US disclosed
EP-0826685-A1 Stable, long acting salts of carboxamides for the treatment of joint disease PFIZER INC. (US) 1998-03-04 EP disclosed
WO-1997022605-A1 STABLE, LONG ACTING SALTS OF INDOLE DERIVATIVES FOR THE TREATMENT OF JOINT DISEASES PFIZER INC. (US) 1997-06-26 WO disclosed