SCHEMBL19986040

SCHEMBL19986040

c1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HSD17B10 Q99714 3/20 0.31
CASP1 P29466 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19985997 0.93 HSD17B10 (0.34) TP53RXFP1HSD17B10CASP1HRH4
SCHEMBL19985985 0.93 HSD17B10 (0.36) TP53RXFP1HSD17B10CASP1HRH4
SCHEMBL22199870 0.88 HSD17B10 (0.35) TP53RXFP1HSD17B10CASP1HRH4
SCHEMBL19544382 0.87 TP53 (0.32) TP53RXFP1NPC1LMNAHPGD
SCHEMBL16582335 0.87 HSD17B10 (0.36) TP53RXFP1HSD17B10CASP1HRH4
SCHEMBL20042627 0.86 ESR1 (0.32) TP53RXFP1
SCHEMBL19985953 0.86 ALDH1A1 (0.37) TP53HSD17B10CASP1POLBKMT2A
SCHEMBL19985995 0.86 ACP1 (0.36) TP53HSD17B10MEN1KMT2ALMNA
SCHEMBL19544161 0.83 CYP1A1 (0.37) TP53RXFP1HSD17B10CASP1HRH4
SCHEMBL24171801 0.83 HSD17B10 (0.33) TP53RXFP1HSD17B10CASP1HRH4

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed