SCHEMBL28084085

SCHEMBL28084085

CCCCc1ccc(NBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
PLK1 P53350 1/20 0.47
HSD17B10 Q99714 2/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SKP2 Q13309 1/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45

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
SCHEMBL48879 0.82 HPGD (0.58) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL14127779 0.82 HPGD (0.58) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL83869 0.81 CA2 (0.65) HPGDSMN1; SMN2CA2CA1ALDH1A1
SCHEMBL2098522 0.80 PLK1 (0.53) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1229928 0.78 HPGD (0.51) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL27504149 0.78 HPGD (0.51) HPGDPOLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2863755 0.78 PLK1 (0.52) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL14137526 0.78 HPGD (0.57) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2098521 0.78 HPGD (0.51) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8083195 0.78 HPGD (0.51) HPGDPOLBNPC1RAB9ASMN1; SMN2

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
CN-103254240-B The compound comprising Phosphorescent metal complexes and the OLED comprising described compound 通用显示公司 2016-06-22 CN disclosed