SCHEMBL9125629

SCHEMBL9125629

O=CC1(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERN1 O75460 1/20 0.39
GPR35 Q9HC97 1/20 0.38
CASP7 P55210 2/20 0.38
TSHR P16473 2/20 0.38
TDP2 O95551 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
XDH P47989 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13281083 0.74 HSD17B10 (0.48) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL30937695 0.74 HSD17B10 (0.44) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL29415666 0.73 KMT2A (0.36) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL19207560 0.73 KMT2A (0.36) TDP1ALDH1A1MEN1KMT2ANPC1
SCHEMBL9125609 0.71 ALDH1A1 (0.43) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL5739965 0.70 CASP7 (0.35) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL30937544 0.70 AKR1C1 (0.46) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL5369495 0.70 AKR1C1 (0.46) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL8830302 0.69 ALOX15 (0.36) ALDH1A1CASP7TSHRL3MBTL1SMN1; SMN2
SCHEMBL19040317 0.69 ALDH1A1 (0.48) HSD17B10TDP1ALDH1A1MEN1KMT2A

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-5453545-A Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID CO. (US) 1995-09-26 US disclosed
US-5364968-A Herbicide intermediate o-nitrophenyl cyclopropyl ketone and a method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-11-15 US disclosed