SCHEMBL27396355

SCHEMBL27396355

CC(C)NC(=N)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
S1PR4 O95977 3/20 0.41
S1PR3 Q99500 3/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
TRPA1 O75762 3/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
S1PR2 O95136 1/20 0.37
P2RX7 Q99572 1/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18735681 0.81 MEN1 (0.41) ALDH1A1LMNAHTTS1PR3GAA
SCHEMBL17826836 0.79 CYP1A2 (0.37) ALDH1A1LMNAALOX15
SCHEMBL23718011 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHTTCES2CES1
SCHEMBL17469782 0.79 PLAU (0.46) ALDH1A1LMNAMAPTTSHRCYP3A4
SCHEMBL15614990 0.78 PKM (0.41) ALDH1A1LMNAGAATSHRALOX15
Hydrochloric Acid SCHEMBL28547551 0.77 BLM (0.43) ALDH1A1LMNAGAATSHRALOX15
SCHEMBL12855290 0.76 LMNA (0.48) ALDH1A1LMNAHTTS1PR4S1PR3
SCHEMBL12197860 0.75 ALDH1A1 (0.46) ALDH1A1HTTS1PR3GAAMAPT
SCHEMBL8185351 0.75 HTT (0.65) ALDH1A1LMNAHTTGAAMAPT
SCHEMBL19218179 0.75 MAOA (0.47) ALDH1A1LMNACYP3A4MAPK1HPGD

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-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed