SCHEMBL11258017

SCHEMBL11258017

COc1cc(NC(=N)NC(=O)NC(C)(C)C)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.50
IMPDH1 P20839 3/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GRM4 Q14833 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAOB P27338 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
PYGL P06737 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL11250817 0.90 SMN1; SMN2 (0.55) IMPDH2IMPDH1HTTMAPTMEN1
SCHEMBL11254618 0.88 IMPDH2 (0.64) IMPDH2IMPDH1MAPTMEN1KMT2A
SCHEMBL11055632 0.85 HTT (0.59) HTTMAPTMEN1KMT2ANPC1
SCHEMBL11250658 0.83 HTT (0.60) HTTMAPTMEN1KMT2AMAOB
SCHEMBL11248846 0.82 HTT (0.52) HTTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11053290 0.82 HTT (0.52) IMPDH2HTTMAPTMEN1KMT2A
SCHEMBL11258217 0.82 GRM4 (0.55) HTTMAPTMEN1KMT2AGRM4
SCHEMBL11253949 0.82 CYP3A4 (0.49) IMPDH2IMPDH1HTTMAPTMEN1
SCHEMBL11252801 0.81 HTT (0.77) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11054939 0.80 HTT (0.56) HTTMAPTMEN1KMT2ASMN1; 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-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed