SCHEMBL18848468

SCHEMBL18848468

NCCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
HPGDS O60760 1/20 0.53
HPGD P15428 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
PIN1 Q13526 1/20 0.48
CASR P41180 1/20 0.47
KDM1A O60341 4/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
P2RY12 Q9H244 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
MAPK14 Q16539 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL16455199 0.94 KMT2A (0.49) CTSBPIN1CASRNPC1P2RY12
SCHEMBL18848748 0.90 CTSB (0.58) CTSBHPGDSHPGDCASRKDM1A
SCHEMBL18848471 0.89 CTSB (0.57) CTSBHPGDSHPGDCASRKDM1A
SCHEMBL16455182 0.88 KDM1A (0.53) KDM1AALDH1A1MAPTMEN1KMT2A
SCHEMBL16455072 0.87 KDM1A (0.60) CTSBHPGDSKDM1AP2RY12KMT2A
SCHEMBL18848749 0.86 KDM1A (0.61) CTSBHPGDSKDM1A
SCHEMBL18043507 0.84 KMT2A (0.50) PIN1KDM1ANPC1ALDH1A1MAPT
SCHEMBL16447123 0.84 KMT2A (0.50) PIN1KDM1ANPC1ALDH1A1MAPT
SCHEMBL16455183 0.83 KDM1A (0.64) CTSBHPGDSKDM1AP2RY12ALDH1A1
SCHEMBL18848470 0.83 HPGD (0.47) HPGDCD274PIN1ALOX15HSD17B10

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
WO-2017079753-A1 LYSINE-SPECIFIC HISTONE DEMETHYLASE AS A NOVEL THERAPEUTIC TARGET IN MYELOPROLIFERATIVE NEOPLASMS IMAGO BIOSCIENCES, INC. (US) 2017-05-11 WO disclosed