SCHEMBL23976663

SCHEMBL23976663

CCCC(NC=O)C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CAPN1 P07384 1/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ METAP2 P50579 1/20 0.43

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
SCHEMBL31374603 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL172206 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20174120 0.81 LTA4H (0.50) POLBMMP3MMP1MMP9EHMT2
SCHEMBL13645755 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL24833252 0.80 EPHX1 (0.53) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL24342850 0.80 IDH2 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL26605999 0.78 DHODH (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL23448620 0.77 CA1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20621920 0.77 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13350764 0.77 HDAC7 (0.38) TSHRMMP3MMP1FPR2MMP2

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
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 — — WO disclosed
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