SCHEMBL9788478

SCHEMBL9788478

CCOC(=O)c1cccc(Oc2cc([N+](=O)[O-])c(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
SERPINE1 P05121 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
EPAS1 Q99814 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9788477 0.88 ALDH1A1 (0.47) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9788465 0.86 SERPINE1 (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9788470 0.81 ELANE (0.48) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9788483 0.81 KIF11 (0.48) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9788472 0.80 SMN1; SMN2 (0.47) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL2970392 0.79 KMT2A (0.50) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9788475 0.79 KIF11 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL28165935 0.79 MAPT (0.51) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9788482 0.79 SMN1; SMN2 (0.51) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL2970880 0.77 SMN1; SMN2 (0.49) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1

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-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US claimed
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed