SCHEMBL24201510

SCHEMBL24201510

COc1cc(C)c(C)c(C=N)c1CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL23783633 0.75 GAA (0.54) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL27423516 0.72 ACHE (0.36) MEN1KMT2AALDH1A1
SCHEMBL1427544 0.71 GAA (0.55) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL27421652 0.71 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4E
SCHEMBL24835300 0.71 MTNR1A (0.40) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL16883429 0.71 GAA (0.67) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL23863696 0.70 CFB (0.48) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL1427541 0.70 GAA (0.61) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL25854573 0.70 KDM4E (0.60) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL24835185 0.69 MAPK1 (0.32) MEN1KMT2AALDH1A1KDM4E

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-3939591-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed