SCHEMBL9508860

SCHEMBL9508860

NCCCCCC(=O)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.44
HDAC1 Q13547 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC3 O15379 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
TERT O14746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GBA1 P04062 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL10109310 0.90 TERT (0.50) P2RY12TERTMEN1KMT2AITGB3
SCHEMBL11489249 0.88 LMNA (0.52)
SCHEMBL11067406 0.86 SMN1; SMN2 (0.53)
SCHEMBL9475174 0.84 CNR1 (0.43) P2RY12HDAC1HDAC4HDAC2HDAC6
SCHEMBL6519579 0.84 TERT (0.48) TERTMEN1KMT2A
SCHEMBL2705691 0.82 POLB (0.50) MEN1KMT2A
SCHEMBL2704274 0.82 ALDH1A1 (0.50) TERTMEN1KMT2A
SCHEMBL9474666 0.82 CNR1 (0.60) MEN1KMT2A
SCHEMBL9475226 0.82 CNR1 (0.60) MEN1KMT2A
SCHEMBL9474467 0.80 CNR1 (0.64) MEN1KMT2A

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-0285266-B1 METAL TREATMENT ZENECA LIMITED (GB) 1993-08-25 EP disclosed
US-5064723-A METAL TREATMENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-12 US disclosed