SCHEMBL3446332

SCHEMBL3446332

Nc1ccc(-n2nc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
SRC P12931 2/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
EGFR P00533 1/20 0.43
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20680132 0.88 CA1 (0.51) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL3861676 0.86 CA1 (0.50) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL3445605 0.83 CA1 (0.63) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL5214926 0.82 ESR1 (0.55) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL3447462 0.82 CA1 (0.45) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL3446044 0.80 CA1 (0.43) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL13107822 0.80 CA1 (0.46) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL13123087 0.80 CA1 (0.52) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL5215998 0.79 KMT2A (0.51) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL13130509 0.78 L3MBTL1 (0.49) CA1CA2MEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816020-B2 Organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-10-19 US disclosed
US-7816020-B2 Organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-10-19 US disclosed
US-7816020-B2 Organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-10-19 US disclosed
US-20080093984-A1 Organic Electroluminescent Device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2008-04-24 US disclosed
US-20080093984-A1 Organic Electroluminescent Device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2008-04-24 US disclosed
US-20080093984-A1 Organic Electroluminescent Device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2008-04-24 US disclosed