SCHEMBL17399083

SCHEMBL17399083

CN1CCC[C@@H](Nc2ncccc2C(=O)Nc2cccc(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
GRM4 Q14833 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MALT1 Q9UDY8 1/20 0.45
GAA P10253 1/20 0.45
GRM5 P41594 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ACKR3 P25106 2/20 0.44
NLRP3 Q96P20 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL17399084 1.00 KDR (0.51) KDRFNTAFNTBNPC1RAB9A
SCHEMBL16017725 1.00 KDR (0.51) KDRFNTAFNTBNPC1RAB9A
SCHEMBL16007186 0.88 KDR (0.54) KDRFNTAFNTBNPC1RAB9A
SCHEMBL16007568 0.87 KDR (0.50) KDRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16007567 0.87 KDR (0.50) KDRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16007598 0.87 KDR (0.50) KDRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16007807 0.85 ACKR3 (0.53) KDRNPC1RAB9ASMN1; SMN2ACKR3
SCHEMBL16007826 0.85 ACKR3 (0.53) KDRNPC1RAB9ASMN1; SMN2ACKR3
SCHEMBL16007510 0.85 ACKR3 (0.53) KDRNPC1RAB9ASMN1; SMN2ACKR3
SCHEMBL16017749 0.84 ANO1 (0.52) KDRFNTAFNTBMALT1ACKR3

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
US-9227955-B2 Compound having angiogenesis inhibitory activity, method for preparing same, and pharmaceutical composition comprising same BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2016-01-05 US disclosed