SCHEMBL171888

SCHEMBL171888

Bn1ccnc1-c1nccn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.43
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HDAC4 P56524 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL170173 0.85 CCR1 (0.32) LPO
SCHEMBL308400 0.85 LPO (0.55) LPOBRD4KDM4ENPC1PKM
SCHEMBL31153305 0.83 LPO (0.52) LPOBRD4KDM4ENPC1PKM
Hydrochloric Acid SCHEMBL1806963 0.83 LPO (0.52) LPOBRD4KDM4ENPC1PKM
SCHEMBL30420079 0.76 LPO (0.46) LPOBRD4KDM4ENPC1PKM
SCHEMBL13052883 0.71 LPO (0.46) LPOBRD4KDM4ENPC1PKM
SCHEMBL14032737 0.70
SCHEMBL23370195 0.70 KDM4E (0.46) LPOBRD4KDM4ENPC1PKM
SCHEMBL16510053 0.70 LPO (0.40) LPOBRD4KDM4ENPC1PKM
SCHEMBL2936291 0.70 ALDH1A1 (0.46) LPOBRD4KDM4ENPC1PKM

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
EP-2084774-B1 NANOTUBE WIRING DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-07 EP disclosed