SCHEMBL7963909

SCHEMBL7963909

CCOC(=O)C(=CCl)c1cc(NC(=O)C2=C(C(=O)N(C)C)CCCC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
DHODH Q02127 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ACR P10323 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7767725 0.82 KMT2A (0.39) KMT2AALDH1A1HPGDNPSR1MAPT
SCHEMBL7963906 0.78 NPSR1 (0.38) KMT2AHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL7021612 0.76 MAPT (0.51) KMT2AALDH1A1HPGDNPSR1MAPT
SCHEMBL11246084 0.74 GRM4 (0.56) KMT2AALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL11242017 0.73 GRM4 (0.43) KMT2AALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL11241892 0.72 TSHR (0.53) KMT2AALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL7963907 0.72 NPSR1 (0.38) KMT2AALDH1A1HPGDNPSR1MAPT
SCHEMBL8304677 0.70 NPSR1 (0.50) KMT2ANPSR1LMNADHODH
SCHEMBL7762961 0.69 NPSR1 (0.39) KMT2AALDH1A1HPGDNPSR1MAPT
SCHEMBL7967762 0.69 NPSR1 (0.39) KMT2AALDH1A1HPGDNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed