SCHEMBL6983648

SCHEMBL6983648

Cc1c(C(=O)c2cnn(C)c2OC(=O)c2ccccc2)ccc2scnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
GRM5 P41594 2/20 0.34
EGLN1 Q9GZT9 1/20 0.32
MAPT P10636 4/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
MAPK14 Q16539 1/20 0.30
LMNA P02545 2/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6986024 0.89 KMT2A (0.39) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL7160276 0.84 HSD11B1 (0.33) EGLN1
SCHEMBL6983155 0.84 SMN1; SMN2 (0.35) KMT2AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6972533 0.82 POLB (0.30) KMT2APOLB
SCHEMBL6979923 0.78 MALT1 (0.33) EGLN1
SCHEMBL10727096 0.72 CYP1A2 (0.44) KMT2AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4977169 0.71 HPGD (0.55) KMT2AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7154413 0.70 KDM4E (0.32) KMT2AEGLN1SMN1; SMN2HPGDALDH1A1
SCHEMBL6979990 0.69 MALT1 (0.32) EGLN1
SCHEMBL6982298 0.68 KDM4E (0.42) KMT2AEGLN1MAPTRAB9ASMN1; SMN2

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-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed