SCHEMBL7767725

SCHEMBL7767725

CCOC(=O)C(Cl)=Cc1cc(NC(=O)C2=C(C(=O)N(C)C)CCCC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 3/20 0.37
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
APEX1 P27695 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL8304677 0.89 NPSR1 (0.50) KMT2ANPSR1DHODHLMNA
SCHEMBL7762961 0.88 NPSR1 (0.39) KMT2AALDH1A1HPGDNPSR1DHODH
SCHEMBL7967762 0.88 NPSR1 (0.39) KMT2AALDH1A1HPGDNPSR1DHODH
SCHEMBL7963909 0.82 KMT2A (0.42) KMT2AALDH1A1HPGDNPSR1DHODH
SCHEMBL7933665 0.79 DGAT1 (0.48) KMT2AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7933664 0.79 DGAT1 (0.48) KMT2AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7931186 0.78 KMT2A (0.42) KMT2AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7931184 0.78 KMT2A (0.42) KMT2AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7963907 0.77 NPSR1 (0.38) KMT2AALDH1A1HPGDNPSR1DHODH
SCHEMBL7020494 0.76 MAPT (0.41) KMT2AALDH1A1HPGDNPSR1DHODH

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-0834503-B1 Tetrahydrophthalimides, their preparation and use BASF AG (DE) 2001-06-27 EP disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
EP-0834503-A1 Tetrahydrophthalimides, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1998-04-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed