SCHEMBL16340100

SCHEMBL16340100

CCN1CCN(Cc2c(C)cccc2C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.42
HSD11B1 P28845 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
ERAP1 Q9NZ08 1/20 0.41
EED O75530 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10102493 0.82 KMT2A (0.65) KMT2AALDH1A1KDM4ENPC1TP53
SCHEMBL16340319 0.78 TSHR (0.47) KMT2AALDH1A1L3MBTL1HTTKDM4E
SCHEMBL1549077 0.76 ALDH1A1 (0.57) KMT2AALDH1A1HTTKDM4EPOLB
SCHEMBL28075821 0.74 CYP2D6 (0.44) KMT2AALDH1A1L3MBTL1KDM4ETP53
SCHEMBL17020099 0.73 CXCR5 (0.53) KMT2AALDH1A1HTTKDM4EPOLB
Hydrochloric Acid SCHEMBL28802432 0.73 ALDH1A1 (0.53) KMT2AALDH1A1HTTKDM4EPOLB
SCHEMBL5963706 0.72 ALDH1A1 (0.57) KMT2AALDH1A1HTTKDM4EPOLB
SCHEMBL6859420 0.71 KDM4E (0.52) KMT2AALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL14899243 0.71 HTT (0.71) KMT2AALDH1A1HTTHPGDHSD17B10
SCHEMBL2340668 0.71 KDM4E (0.55) KMT2AALDH1A1HTTKDM4EPOLB

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-3013797-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BeiGene, Ltd. (KY) 2016-05-04 EP disclosed
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed