SCHEMBL27004523

SCHEMBL27004523

Cc1cc(C)c2nc(NC(=N)C(Cl)(Cl)Cl)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ RORC P51449 1/20 0.52
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ RIPK1 Q13546 1/20 0.43
▸ LMNA P02545 1/20 0.39

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
SCHEMBL27004441 0.83 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ERORCNPC1
SCHEMBL27004464 0.81 MAPT (0.59) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL27004488 0.78 DYRK1A (0.62) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL27004474 0.77 GAA (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL27004518 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL27004472 0.75 RAB9A (0.56) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL27004444 0.73 KMT2A (0.57) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL22074675 0.72 HSD17B10 (0.61) ALDH1A1MAPTKDM4ERORCNPC1
SCHEMBL30597536 0.72 NPC1 (0.64) ALDH1A1MAPTKDM4ERORCNPC1
SCHEMBL30597546 0.72 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ERORCNPC1

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
EP-4306109-A1 NEW ANTIBIOTIC COMPOUNDS Université de la Côte d'Azur (FR) 2024-01-17 — — EP disclosed
Send feedback