SCHEMBL9838538

SCHEMBL9838538

O=C(Oc1cc([N+](=O)[O-])c(F)cc1F)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 4/20 0.45
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 9/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.39
NOD2 Q9HC29 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL9838522 0.80 KDM4E (0.44) GPR174ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL16513277 0.76 ATM (0.41) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL28030256 0.76 CYP4F2 (0.44) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL29029637 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL16454949 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL29896183 0.74 MAPT (0.59) ALDH1A1SMN1; SMN2GAAMAPTPOLB
SCHEMBL19306610 0.74 MAPT (0.59) ALDH1A1SMN1; SMN2GAAMAPTPOLB
SCHEMBL7215856 0.74 HTT (0.41) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL15056865 0.71 GAA (0.48) GPR174ALDH1A1GAAMAPTPOLB
SCHEMBL28659947 0.71 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2GAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994104-A Tetrahydrophthalimide carbamate herbicidal compositions FMC CORPORATION (US) 1991-02-19 US disclosed