SCHEMBL30433135

SCHEMBL30433135

CC(C)CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40

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
SCHEMBL11111922 0.80 S1PR4 (0.50) ALDH1A1CYP3A4ALOX15TDP1HTT
SCHEMBL2983082 0.78 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL30433361 0.77 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL8536343 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL28757542 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL10582813 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL7026429 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL2979886 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53
Potassium Ion SCHEMBL31252976 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53
SCHEMBL2967553 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118613484-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2024-09-06 — — CN disclosed
CN-116209476-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2023-06-02 — — CN disclosed
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