SCHEMBL10087749

SCHEMBL10087749

Cc1c(C(C)C)c([N+](=O)[O-])c(C(C)C)c([N+](=O)[O-])c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PKM P14618 1/20 0.31
CYP3A4 P08684 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL12548643 0.95 TDP1 (0.38) TDP1ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL9004845 0.90 ALDH1A1 (0.39) TDP1ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL12569528 0.81 FABP3 (0.33)
SCHEMBL5862368 0.77 FABP3 (0.36)
SCHEMBL107210 0.76 ALDH1A1 (0.35) TDP1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL9004731 0.75 ALDH1A1 (0.36) TDP1ALDH1A1TSHRNPC1MAPT
SCHEMBL9004701 0.73 PDK1 (0.37) TDP1ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL26382436 0.73 ALDH1A1 (0.32) TDP1ALDH1A1NPC1MAPTMAPK1
SCHEMBL27727673 0.73 GPR35 (0.34) TDP1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL15097624 0.71

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-8343708-B2 Positive resist composition and pattern forming method FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20120034564-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-02-09 US disclosed