SCHEMBL8432181

SCHEMBL8432181

C=CCCCCN1C(=O)Cc2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MAPT P10636 4/20 0.58
APAF1 O14727 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 3/20 0.58
BLM P54132 2/20 0.58
CASP1 P29466 1/20 0.58
RAB9A P51151 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 4/20 0.54
HPGD P15428 2/20 0.54
ACHE P22303 1/20 0.46
CASP6 P55212 2/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL8077147 0.99 KMT2A (0.57) KMT2AMAPTAPAF1ALDH1A1GAA
SCHEMBL1020354 0.90 KMT2A (0.62) KMT2AMAPTAPAF1ALDH1A1GAA
SCHEMBL6505837 0.82 TDP1 (0.56) MAPTRAB9ACASP3HDAC3HDAC4
SCHEMBL14560538 0.81 KMT2A (0.62) KMT2AMAPTAPAF1ALDH1A1GAA
SCHEMBL9381432 0.81 KMT2A (0.62) KMT2AMAPTAPAF1ALDH1A1GAA
SCHEMBL1260843 0.81 KMT2A (0.60) KMT2AMAPTAPAF1ALDH1A1GAA
SCHEMBL997571 0.81 TDP1 (0.58) KMT2AMEN1ACHECASP3HDAC3
SCHEMBL31036100 0.81 TDP1 (0.58) KMT2AMEN1ACHECASP3HDAC3
SCHEMBL793609 0.81 TDP1 (0.58) KMT2AMEN1ACHECASP3HDAC3
SCHEMBL29545568 0.81 TDP1 (0.58) KMT2AMEN1ACHECASP3HDAC3

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
US-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 US disclosed
WO-1995026722-A1 METHOD FOR INHIBITING MAST CELL AND BASOPHIL ACTIVATION CELL THERAPEUTICS, INC. (US) 1995-10-12 WO disclosed