SCHEMBL30358108

SCHEMBL30358108

O=c1c2cn[nH]c2nc(SCc2cccc(F)c2)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 1.00
▸ ALDH1A2 O94788 7/20 1.00
▸ ALDH1A3 P47895 7/20 1.00
▸ TP53 P04637 7/20 0.84
▸ LMNA P02545 5/20 0.84
▸ POLB P06746 1/20 0.79
▸ MEN1 O00255 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ MAPT P10636 4/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ HTT P42858 4/20 0.61
▸ MAPK10 P53779 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL19748997 1.00 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3TP53LMNA
SCHEMBL30358101 0.86 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3TP53LMNA
SCHEMBL29522912 0.86 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3TP53LMNA
SCHEMBL17208552 0.86 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3TP53LMNA
SCHEMBL26978056 0.85 ALDH1A1 (0.74) ALDH1A1ALDH1A2ALDH1A3TP53LMNA
SCHEMBL19745710 0.80 ALDH1A3 (1.00) ALDH1A1ALDH1A2ALDH1A3TP53LMNA
SCHEMBL30358099 0.80 ALDH1A3 (1.00) ALDH1A1ALDH1A2ALDH1A3TP53LMNA
SCHEMBL30358120 0.79 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL19746114 0.79 ALDH1A1 (1.00) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL19745931 0.78 ALDH1A3 (0.82) ALDH1A1ALDH1A2ALDH1A3TP53LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023059884-A1 ALDH INHIBITORS TO PROMOTE IMMUNE CELL EXPANSION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-04-13 — — WO claimed
WO-2023059884-A1 ALDH INHIBITORS TO PROMOTE IMMUNE CELL EXPANSION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-04-13 — — WO disclosed
Send feedback