SCHEMBL18883256

SCHEMBL18883256

CC(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 1/20 0.56
SLCO2B1 O94956 1/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
BCL2L1 Q07817 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
HDAC3 O15379 7/20 0.56
HDAC4 P56524 7/20 0.56
HDAC1 Q13547 7/20 0.56

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
SCHEMBL23191108 0.97 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933702 0.96 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933710 0.93 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL16552182 0.93 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933708 0.91 HDAC3 (0.60) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL23191099 0.90 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933707 0.90 HDAC3 (0.59) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL23191043 0.89 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL17933616 0.89 HDAC3 (0.58) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL14091141 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ENPC1POLB

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-20170143703-A1 TOXIC RNA INHIBITORS SELF-ASSEMBLED IN SITU THE SCRIPPS RESEARCH INSTITUTE 2017-05-25 US disclosed