SCHEMBL19154591

SCHEMBL19154591

C=C(C)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.56
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA4 P22748 4/20 0.55
CA9 Q16790 4/20 0.55
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL19155077 0.88 MAPT (0.66) CA1CA2CA9ALDH1A1MAPT
SCHEMBL18074272 0.84 CASP3 (0.67) CASP3CA1CA2CA4CA9
SCHEMBL1065287 0.79 CASP3 (0.65) CASP3CA1CA2CA4CA9
SCHEMBL1430310 0.79 CASP3 (0.65) CASP3CA1CA2CA4CA9
SCHEMBL1142116 0.78 CASP3 (0.86) CASP3CA1CA2CA4CA9
SCHEMBL29724090 0.78 CASP3 (0.86) CASP3CA1CA2CA4CA9
SCHEMBL12732392 0.78 TDP1 (0.59) ALDH1A1MAPTRAB9AADRA1DADRA1A
SCHEMBL6386416 0.77 SMN1; SMN2 (0.58) CASP3ALDH1A1MAPTGAAKDM4E
SCHEMBL9762439 0.77 CASP3 (0.48) CASP3CA1CA2CA4CA9
SCHEMBL29452096 0.76 GAA (0.50) CASP3CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714356-B2 Black ink composition, ink set, and image forming method FUJIFILM CORPORATION (JP) 2017-07-25 US disclosed