SCHEMBL24399513

SCHEMBL24399513

C[C@@H]1C[C@@H](C)c2cc(N)ccc2-c2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 6/20 0.35
NPC1 O15118 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP1 P29466 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 3/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL20628363 0.80 MAPT (0.43) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL942118 0.79 ALDH1A1 (0.39) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL31351715 0.74 MKNK1 (0.51) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL942131 0.72 TSHR (0.39) CHRNB2CHRNA4CA12CA9ALDH1A1
SCHEMBL11065428 0.71 OPRM1 (0.40) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL17495116 0.71 CASP1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL942985 0.70 DYRK1A (0.56) CHRNB2CHRNA4CA1CA2ALDH1A1
SCHEMBL12336639 0.70 ESR1 (0.37) CHRNB2CHRNA4ALDH1A1NPC1LMNA
SCHEMBL29271551 0.70 ALDH1A1 (0.34) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL940081 0.70 NR3C1 (0.36) CHRNB2CHRNA4ALDH1A1NPC1LMNA

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
WO-2022090523-A1 CHIRAL POLYMERS AND USE THEREOF CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2022-05-05 WO disclosed