SCHEMBL31057789

SCHEMBL31057789

CCOC(=O)CNC(=O)Cn1ccn(-c2ccc(OC)cc2Cl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.46
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL31057900 0.88 MAPT (0.41) RXFP1MAPTRAB9APOLBHPGD
SCHEMBL31057922 0.79 FPR2 (0.38) MAPTPOLBALDH1A1KDM4EGABRA2
SCHEMBL31554478 0.65 HPGD (0.56) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL8580742 0.64 ALDH1A1 (0.54) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL4402710 0.64 RXFP1 (0.47) RXFP1MAPTRAB9ANPC1POLB
SCHEMBL27633504 0.64 USP2 (0.49) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL29725710 0.64 USP2 (0.49) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL28492711 0.64 POLB (0.60) RXFP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4484802 0.64 JAK2 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27968221 0.63 MAPT (0.53) MAPTSMN1; SMN2POLBALDH1A1GAA

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-2024173718-A2 HETEROBIFUNCTIONAL BINDERS OF KLHDC2 ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2024-08-22 — — WO disclosed
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