SCHEMBL24670057

SCHEMBL24670057

NCc1nc2ccc(CC(=O)O)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.52
UBE2N P61088 1/20 0.52
HPSE Q9Y251 2/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
APEX1 P27695 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
TSHR P16473 1/20 0.43
CACNA1H O95180 1/20 0.43
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL4070219 0.85 HPSE (0.48) RAD52UBE2NHPSEMAPTALDH1A1
SCHEMBL3597291 0.82 ABL1 (0.55) HPSEMAPTALDH1A1APEX1KDM4E
SCHEMBL28521765 0.79 HSP90AA1 (0.60) HPSEMAPTALDH1A1KDM4EMEN1
SCHEMBL24670060 0.79 RAD52 (0.59) RAD52UBE2NMAPTALDH1A1KDM4E
SCHEMBL7348242 0.76 MAPT (0.68) RAD52MAPTALDH1A1APEX1KDM4E
SCHEMBL7468736 0.75 HPSE (0.62) HPSEMAPTALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7231030 0.74 HPSE (0.61) HPSEMAPTALDH1A1KDM4EMEN1
SCHEMBL4070212 0.73 KDM4E (0.51) MAPTALDH1A1APEX1KDM4EMEN1
SCHEMBL24670085 0.73 RAD52 (0.63) RAD52UBE2NMAPTALDH1A1APEX1
SCHEMBL38661086 0.73 IDO1 (0.59) MAPTALDH1A1APEX1NPSR1MAOA

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed