SCHEMBL19508591

SCHEMBL19508591

C/C=C/C(=O)/C=C/c1ccc(N(C)C)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.86
TLR9 Q9NR96 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
MAPT P10636 6/20 0.54
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL814396 0.93 HSD17B3 (1.00) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL814395 0.93 HSD17B3 (1.00) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL3050207 0.93 HSD17B3 (1.00) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL11319313 0.86 HSD17B3 (0.86) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL11140648 0.86 HSD17B3 (0.86) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL11319298 0.86 HSD17B3 (0.86) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL9418469 0.86 HSD17B3 (0.86) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL10227089 0.84 HSD17B3 (0.83) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL11139551 0.84 HSD17B3 (0.83) HSD17B3TLR9CRHBPCRHR2MAPT
SCHEMBL11318709 0.84 HSD17B3 (0.83) HSD17B3TLR9CRHBPCRHR2MAPT

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
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
WO-2017182945-A1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIVERSIDADE DE AVEIRO (PT) 2017-10-26 WO disclosed