SCHEMBL29686463

SCHEMBL29686463

CN(Cc1c([N+](=O)[O-])cccc1C(F)(F)F)[SH](=O)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.39
▸ P2RX1 P51575 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL17857084 0.80 ALDH1A1 (0.46) ALDH1A1TDP1P2RX1TSHRSMN1; SMN2
SCHEMBL2873795 0.77 ALDH1A1 (0.43) ALDH1A1TDP1P2RX1TSHRSMN1; SMN2
SCHEMBL18816146 0.77 ALDH1A1 (0.47) ALDH1A1TDP1P2RX1TSHRSMN1; SMN2
SCHEMBL7458876 0.77 ALDH1A1 (0.46) ALDH1A1TDP1P2RX1TSHRSMN1; SMN2
SCHEMBL31184606 0.77 ALDH1A1 (0.43) ALDH1A1TDP1P2RX1TSHRSMN1; SMN2
SCHEMBL9550132 0.77 ALDH1A1 (0.43) ALDH1A1TDP1P2RX1TSHRSMN1; SMN2
SCHEMBL8014629 0.75 ALDH1A1 (0.47) ALDH1A1TDP1TSHRGPR35RAB9A
SCHEMBL2882412 0.72 ALDH1A1 (0.40) ALDH1A1TDP1P2RX1TSHRSMN1; SMN2
SCHEMBL17974652 0.72 NPSR1 (0.48) ALDH1A1P2RX1TSHRSMN1; SMN2MEN1
SCHEMBL2431059 0.72 TDP1 (0.64) ALDH1A1TDP1TSHRSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 — — CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 — — CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 — — WO disclosed
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