SCHEMBL30464797

SCHEMBL30464797

O=C(O)c1cc(-c2cc(Cl)ccc2Cl)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.64
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 3/20 0.47
KDM6B O15054 1/20 0.47
TET3 O43151 1/20 0.47
KDM4A O75164 1/20 0.47
BBOX1 O75936 1/20 0.47
MAPT P10636 1/20 0.47
KDM5A P29375 1/20 0.47
KDM5C P41229 1/20 0.47
ASPH Q12797 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TET2 Q6N021 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47
KDM8 Q8N371 1/20 0.47
TET1 Q8NFU7 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
FTO Q9C0B1 1/20 0.47

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
SCHEMBL25282100 1.00 KMO (0.64) KMOALDH1A1TP53KDM4EKDM6B
SCHEMBL25234564 0.87 KMO (0.47) KMOALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL16094054 0.86 KMO (0.54) KMOALDH1A1KDM4EKDM6BTET3
Hydrochloric Acid SCHEMBL17293618 0.84 KMO (0.53) KMOALDH1A1KDM4EKDM6BTET3
SCHEMBL25242773 0.82 ALDH1A1 (0.51) KMOALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL25232475 0.81 KMO (0.60) KMOALDH1A1KDM4EKDM6BTET3
SCHEMBL25174367 0.80 KMO (0.72) KMOALDH1A1KDM4EKDM6BTET3
SCHEMBL31151693 0.79 ALDH1A1 (0.61) KMOALDH1A1KDM4EKDM6BTET3
SCHEMBL202448 0.79 ALDH1A1 (0.61) KMOALDH1A1KDM4EKDM6BTET3
SCHEMBL3355376 0.78 KMO (1.00) KMOALDH1A1KDM4EKDM6BTET3

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-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed