SCHEMBL24461253

SCHEMBL24461253

CC(=O)[C@H]1CC[C@H](c2cnc(N3CCC(C)CC3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 10/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ SLC6A9 P48067 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL26157094 1.00 ACACB (0.43) ACACBKDM4ECYP2C19KMT2ASLC6A9
SCHEMBL26157130 0.90 HRH3 (0.39) ACACBKDM4ECYP2C19KMT2AUSP2
SCHEMBL25604691 0.87 ACACB (0.45) ACACBKDM4ECYP2C19KMT2ASLC6A9
SCHEMBL25475903 0.87 ACACB (0.45) ACACBKDM4ECYP2C19KMT2ASLC6A9
SCHEMBL25475906 0.87 ACACB (0.45) ACACBKDM4ECYP2C19KMT2ASLC6A9
SCHEMBL24461260 0.85 TSHR (0.44) ACACBKMT2AUSP2SMN1; SMN2GPR119
SCHEMBL26157095 0.85 TSHR (0.44) ACACBKMT2AUSP2SMN1; SMN2GPR119
SCHEMBL24461258 0.85 TSHR (0.44) ACACBKMT2AUSP2SMN1; SMN2GPR119
SCHEMBL26157322 0.80 ALDH1A1 (0.39) ACACBKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL26157319 0.80 ADRA1A (0.52) KDM4ECYP2C19KMT2ASMN1; SMN2ALDH1A1

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-2022109426-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2022-05-27 — — WO disclosed
Send feedback