SCHEMBL29988751

SCHEMBL29988751

COC(=O)[C@H]1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
ALOX15B O15296 1/20 0.60
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SMPD1 P17405 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
TNKS O95271 3/20 0.45
PARP2 Q9UGN5 2/20 0.45
TP53 P04637 1/20 0.45
PARP1 P09874 1/20 0.44
ADCY1 Q08828 1/20 0.43

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
SCHEMBL437121 0.88 TNKS (0.50) ALDH1A1RAB9ACA1CA2MAPT
SCHEMBL408245 0.88 TNKS (0.50) ALDH1A1RAB9ACA1CA2MAPT
SCHEMBL29988207 0.85 ALDH1A1 (0.66) ALDH1A1ALOX15BRAB9ASMN1; SMN2SMPD1
SCHEMBL9407907 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15BCA1CA2MAPT
SCHEMBL407317 0.81 TNKS (0.46) ALDH1A1RAB9ACA1CA2MAPT
SCHEMBL29988293 0.80 RAB9A (0.41) ALDH1A1ALOX15BRAB9ASMN1; SMN2MAPT
SCHEMBL29988627 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMAPK1POLB
SCHEMBL439177 0.80 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL408370 0.80 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL442998 0.80 PKM (0.41) SMN1; SMN2TP53ADCY1

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-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 WO disclosed