SCHEMBL19985946

SCHEMBL19985946

c1ccc2c(c1)sc1cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)ccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR3 P46089 1/20 0.36
TP53 P04637 4/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HCRTR1 O43613 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL17228988 0.94 MAPT (0.39) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19985960 0.92 GPR3 (0.36) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19985972 0.92 TP53 (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19985962 0.90 ALDH1A1 (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19985987 0.88 MAPT (0.34) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17228986 0.87 MAPT (0.38) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17297487 0.87 MAPT (0.38) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17405706 0.87 TP53 (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17405423 0.87 TP53 (0.35) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19997975 0.87 ATM (0.41) MAPTALDH1A1HPGDRAB9ASMN1; 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 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