SCHEMBL11491981

SCHEMBL11491981

CCc1ccc(Cn2cnc(C(=O)O)c2C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.75
GAA P10253 1/20 0.75
TSHR P16473 1/20 0.75
ALDH1A1 P00352 1/20 0.43
SCD O00767 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
PABPC1 P11940 1/20 0.41
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
CA9 Q16790 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
YTHDC1 Q96MU7 1/20 0.38
RECQL P46063 1/20 0.38
MAPK10 P53779 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL11484479 0.88 TSHR (0.75) PKMGAATSHRSCDMEN1
SCHEMBL11495055 0.86 PKM (0.77) PKMGAATSHRALDH1A1SCD
SCHEMBL2808649 0.86 PKM (1.00) PKMGAATSHRMEN1KMT2A
SCHEMBL11485955 0.85 PKM (0.75) PKMGAATSHRSCDMEN1
SCHEMBL11484824 0.85 PKM (1.00) PKMGAATSHRALDH1A1SCD
SCHEMBL11492608 0.85 PKM (0.75) PKMGAATSHRMEN1KMT2A
SCHEMBL11491140 0.84 PKM (0.69) PKMGAATSHRALDH1A1SCD
SCHEMBL11495353 0.81 PKM (0.65) PKMGAATSHRSCDMEN1
SCHEMBL11483543 0.81 PKM (0.69) PKMGAATSHRSCDSMN1; SMN2
SCHEMBL11484432 0.81 PKM (0.69) PKMGAATSHRALDH1A1SMN1; SMN2

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-4185992-A Imidazole derivatives MAY & BAKER LIMITED (GB) 1980-01-29 US disclosed