SCHEMBL21389454

SCHEMBL21389454

O=C(CSCC(=O)NC1CCCC1)NCCN1C(=O)[C@H]2CC[C@@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL24796341 0.86 PER2 (0.36) —
SCHEMBL21389244 0.86 MITF (0.36) ALDH1A1L3MBTL1GAAMITFTSHR
SCHEMBL24796422 0.86 MITF (0.36) ALDH1A1L3MBTL1GAAMITFTSHR
SCHEMBL24796055 0.84 CYP1A2 (0.35) SMN1; SMN2LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL24796340 0.84 CYP1A2 (0.35) SMN1; SMN2LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL24796676 0.78 HPGD (0.43) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL21389261 0.77 ATM (0.50) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL21389270 0.77 HPGD (0.44) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24796295 0.76 ATM (0.49) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24796649 0.76 ATM (0.46) HPGDSMN1; SMN2LMNAKMT2AALDH1A1

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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