SCHEMBL5149208

SCHEMBL5149208

Cc1cccc(-c2ccc(-c3ccccc3)cn2)c1.Cc1cccc(-c2ccc(-c3ccccc3)cn2)c1.[Ir]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
KDM1A O60341 1/20 0.52
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
KMO O15229 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA1 P30542 1/20 0.44
ENPP3 O14638 1/20 0.44

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
SCHEMBL12973163 0.93 HSD17B1 (0.59) HSD17B1HSD17B2KDM1AIDO1METAP2
SCHEMBL2418516 0.91 HSD17B1 (0.54) HSD17B1HSD17B2KDM1AIDO1METAP2
SCHEMBL4402515 0.89 HSD17B1 (0.61) HSD17B1HSD17B2KDM1AIDO1METAP2
SCHEMBL15013905 0.88 KDM1A (0.51) HSD17B1HSD17B2KDM1AIDO1METAP2
SCHEMBL2253746 0.86 RAB9A (0.47) HSD17B1HSD17B2KDM1AIDO1METAP2
SCHEMBL17306604 0.86 DHODH (0.48) HSD17B1HSD17B2KDM1ANPC1RAB9A
SCHEMBL20204393 0.86 DHODH (0.48) HSD17B1HSD17B2KDM1ANPC1RAB9A
SCHEMBL4404645 0.85 HSD17B1 (0.55) HSD17B1HSD17B2KDM1AIDO1METAP2
SCHEMBL13910991 0.85 HSD17B1 (0.63) HSD17B1HSD17B2KMONPC1RAB9A
SCHEMBL27430958 0.84 CYP11B1 (0.48) HSD17B1HSD17B2KDM1ANPC1RAB9A

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
US-7279232-B2 Electroluminescent stability UNIVERSAL DISPLAY CORPORATION (US) 2007-10-09 US disclosed
US-20050164030-A1 Electroluminescent stability THE UNIVERSITY OF SOUTHERN CALIFORNIA 2005-07-28 US disclosed