SCHEMBL21296779

SCHEMBL21296779

CC(C)(C)OC(=O)n1nccc1-c1cccc(Nc2cccc(N3CCCCC3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.43
CNR1 P21554 3/20 0.41
GPR119 Q8TDV5 4/20 0.41
JAK3 P52333 2/20 0.41
PTK2 Q05397 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CAMK2D Q13557 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL21296781 0.88 MAPT (0.47) CNR1NPC1SMN1; SMN2MAPTALOX15
SCHEMBL21296840 0.84 ACP1 (0.42) JAK2JAK3
SCHEMBL21296774 0.78 MAPT (0.46) JAK2JAK3MAPTALDH1A1TDP1
SCHEMBL21296771 0.76 MAP2K4 (0.39) NPC1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL21296842 0.75 BRAF (0.49) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL21296800 0.75 CNR1 (0.43) CNR1ALDH1A1
SCHEMBL23610573 0.73 SCN3A (0.44) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL23610577 0.73 HSD17B1 (0.47) ALOX15TSHRMEN1POLBKMT2A
SCHEMBL21296776 0.70 KMT2A (0.53) NPC1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL23610572 0.70 KMT2A (0.54) NPC1SMN1; SMN2MAPTALOX15TSHR

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-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO disclosed