SCHEMBL21389528

SCHEMBL21389528

O=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)[C@@H]2C=CC21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ HPGD P15428 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
SCHEMBL24796055 0.77 CYP1A2 (0.35) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL24796340 0.77 CYP1A2 (0.35) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL24795943 0.77 ALDH1A1 (0.39) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL24796300 0.76 CYP1A2 (0.40) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL21389343 0.76 ALDH1A1 (0.41) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL21389390 0.76 CYP1A2 (0.38) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL21389478 0.76 HTT (0.44) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL24795904 0.75 ALDH1A1 (0.36) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL24795996 0.75 CYP1A2 (0.35) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4
SCHEMBL21389269 0.75 CYP1A2 (0.35) ALDH1A1KMT2ARAB9ACYP1A2CYP3A4

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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