SCHEMBL9766524

SCHEMBL9766524

Cc1cc2c(cc1[N+](=O)[O-])nc1n2CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 4/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CFTR P13569 1/20 0.37
ALOX15 P16050 1/20 0.37
HKDC1 Q2TB90 1/20 0.37

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
SCHEMBL28772103 0.95 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL9588005 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL30089775 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL840476 0.75 MAPT (0.66) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL9589544 0.73 FLT3 (0.39) SMN1; SMN2
SCHEMBL29721683 0.73 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL4459931 0.71 MAPT (0.51) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL9589317 0.71 NPC1 (0.46) SMN1; SMN2MAPTTP53ALDH1A1NPC1
SCHEMBL29721450 0.69 GAA (0.43) MEN1KMT2AMAPTHPGDGAA
SCHEMBL3021566 0.69 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AMAPTHPGD

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-5015742-A Antitumor agents ARIZONA BOARD OF REGENTS (US) 1991-05-14 US disclosed