SCHEMBL15977453

SCHEMBL15977453

c1cnc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
KLF5 Q13887 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
IKBKB O14920 1/20 0.38
CYP1A2 P05177 3/20 0.38

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
SCHEMBL15977913 0.95 ESR1 (0.43) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977914 0.95 ESR1 (0.43) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977495 0.94 ESR1 (0.42) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977601 0.94 ESR1 (0.42) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977915 0.90 CYP11B1 (0.38) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977482 0.89 CYP17A1 (0.45) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977630 0.88 IKBKB (0.41) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977408 0.88 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977409 0.88 KDM4E (0.43) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10
SCHEMBL15977597 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed