SCHEMBL24568388

SCHEMBL24568388

CC[C@@H](C)NC(O)c1ccc(C)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.37
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL20342450 0.75 LMNA (0.47) P2RX7LMNAMEN1KMT2AHDAC1
SCHEMBL12352043 0.75 LMNA (0.47) P2RX7LMNAMEN1KMT2AHDAC1
SCHEMBL13003596 0.73 KMT2A (0.41) P2RX7LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL24501868 0.73 KMT2A (0.41) P2RX7LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6745604 0.73 KMT2A (0.41) P2RX7LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL17154813 0.73 LMNA (0.40) P2RX7LMNAMEN1KMT2AHDAC1
SCHEMBL31201731 0.73 LMNA (0.40) P2RX7LMNAMEN1KMT2AHDAC1
SCHEMBL961068 0.73 LMNA (0.40) P2RX7LMNAMEN1KMT2AHDAC1
SCHEMBL30467058 0.73 LMNA (0.40) P2RX7LMNAMEN1KMT2AHDAC1
SCHEMBL17154815 0.73 LMNA (0.40) P2RX7LMNAMEN1KMT2AHDAC1

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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 — — WO disclosed
Send feedback