SCHEMBL2718360

SCHEMBL2718360

CC(C)(C)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HIF1A Q16665 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
GALR3 O60755 1/20 0.55
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ACHE P22303 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
PTPRC P08575 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
SCHEMBL4427347 0.87 ALDH1A1 (0.55) ALDH1A1HIF1AL3MBTL1HTTSMN1; SMN2
SCHEMBL2031510 0.85 ALDH1A1 (0.52) ALDH1A1HIF1AL3MBTL1HTTSMN1; SMN2
SCHEMBL85544 0.83 ALDH1A1 (0.58) ALDH1A1HIF1AHTTKMT2AMEN1
SCHEMBL17507405 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AL3MBTL1HTTSMN1; SMN2
SCHEMBL11654599 0.82 SMN1; SMN2 (0.60) ALDH1A1HIF1AL3MBTL1HTTSMN1; SMN2
SCHEMBL10904597 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AL3MBTL1HTTKMT2A
SCHEMBL28097464 0.80 ALDH1A1 (0.47) ALDH1A1HIF1AL3MBTL1HTTSMN1; SMN2
SCHEMBL1981365 0.80 ALDH1A1 (0.51) ALDH1A1HIF1AL3MBTL1HTTSMN1; SMN2
SCHEMBL21398693 0.80 MEN1 (0.53) ALDH1A1HIF1AL3MBTL1HTTSMN1; SMN2
SCHEMBL31125147 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1HTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 US disclosed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 WO disclosed