SCHEMBL18175982

SCHEMBL18175982

Cc1nnc(NC(=O)c2cccc(N)c2)s1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
GAA P10253 2/20 0.71
ALDH1A1 P00352 1/20 0.71
ALOX15 P16050 1/20 0.71
TSHR P16473 1/20 0.71
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 3/20 0.69
KDM1A O60341 3/20 0.65
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.57
RCOR1 Q9UKL0 1/20 0.54

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
SCHEMBL18176018 0.86 MEN1 (0.72) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL8556554 0.86 KMT2A (0.75) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL7348805 0.83 MEN1 (0.71) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL2175908 0.82 RAB9A (0.77) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL12852615 0.82 MEN1 (0.73) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL20888451 0.81 MEN1 (0.72) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL1353749 0.80 SMN1; SMN2 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL17712431 0.79 SMN1; SMN2 (0.71) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL17011812 0.79 KDM1A (1.00) MEN1KMT2AGAAALDH1A1ALOX15
Hydrochloric Acid SCHEMBL17003193 0.78 KDM1A (0.98) MEN1KMT2AGAAALDH1A1ALOX15

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
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed