SCHEMBL16455199

SCHEMBL16455199

NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
PIN1 Q13526 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
P2RY12 Q9H244 1/20 0.48
CTSB P07858 1/20 0.47
CASR P41180 1/20 0.47
TGM2 P21980 1/20 0.46
CCR1 P32246 1/20 0.46

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
SCHEMBL18848468 0.94 CTSB (0.55) KMT2AMAPTSMN1; SMN2NPC1PIN1
SCHEMBL18043507 0.89 KMT2A (0.50) KMT2APOLBMAPTTSHRSMN1; SMN2
SCHEMBL16447123 0.89 KMT2A (0.50) KMT2APOLBMAPTTSHRSMN1; SMN2
SCHEMBL16455182 0.88 KDM1A (0.53) KMT2AMAPTSMN1; SMN2ALDH1A1TGM2
SCHEMBL16447439 0.85 KMT2A (0.51) KMT2APOLBMAPTTSHRSMN1; SMN2
SCHEMBL18848695 0.85 KDM1A (0.54) P2RY12CTSB
SCHEMBL16448219 0.85 KMT2A (0.51) KMT2APOLBMAPTTSHRSMN1; SMN2
SCHEMBL18848748 0.83 CTSB (0.58) P2RY12CTSBCASR
SCHEMBL18848471 0.82 CTSB (0.57) P2RY12CTSBCASR
SCHEMBL18023284 0.82 KDM1A (0.57) ALDH1A1P2RY12TGM2

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-2015021128-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC. (US) 2015-02-12 WO disclosed