SCHEMBL3879052

SCHEMBL3879052

Cc1cc(-c2ccc3ccccc3c2)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
THRB P10828 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
AHR P35869 1/20 0.55
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HCRTR1 O43613 1/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 3/20 0.53
RAC1 P63000 2/20 0.51
HPGD P15428 3/20 0.50
BACE1 P56817 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL14095541 0.85 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL710469 0.84 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL951744 0.84 MAPT (0.65) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL670646 0.84 CYP1A2 (0.62) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL26456461 0.83 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17600557 0.82 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30946935 0.82 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6859623 0.82 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30388558 0.82 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27986152 0.82 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-7560176-B2 Light-emitting element and iridium complex CHI MEI OPTOELECTRONICS CORP. (TW) 2009-07-14 US disclosed
US-20050025995-A1 Light-emitting element and iridium complex Innolux Corporation (TW) 2005-02-03 US disclosed