SCHEMBL10547612

SCHEMBL10547612

CC(=O)c1ccc(C(=O)N(Cc2ccccc2F)C(C)C)o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 5/20 0.40
▸ TAS2R14 Q9NYV8 2/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ AR P10275 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ MAOB P27338 1/20 0.36

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
SCHEMBL10546639 0.86 KMT2A (0.43) KMT2AALDH1A1GAATSHRKDM4E
SCHEMBL10548133 0.74 PSEN1 (0.53) KMT2AALDH1A1KDM4EMEN1TAS2R14
SCHEMBL10548265 0.69 THRA (0.41) KMT2AMEN1MAOB
SCHEMBL6415769 0.65 RIPK1 (0.62) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL54682 0.64 KMT2A (0.46) KMT2AALDH1A1GAATSHRKDM4E
SCHEMBL20621832 0.64 TAAR1 (0.50) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL10544541 0.63 SMN1; SMN2 (0.43) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL25062411 0.62 HDAC1 (0.45) ALDH1A1TSHRKDM4ESMN1; SMN2HDAC8
SCHEMBL10547136 0.62 ALDH1A1 (0.48) KMT2AALDH1A1MEN1LMNAMAOB
SCHEMBL13235820 0.62 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EMEN1RIPK1

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-4814341-A HISTAMINE H2 ANTAGONISTS REITER LAWRENCE A (US) 1989-03-21 — — US disclosed
Send feedback