SCHEMBL9705786

SCHEMBL9705786

Cc1cc(CCCCCOc2c(Cl)cc(C(=O)NCCCl)cc2[N+](=O)[O-])on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PKM P14618 2/20 0.38
MAPT P10636 8/20 0.37
LMNA P02545 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
HSP90AA1 P07900 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL9705981 0.90 HDAC6 (0.41) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL9705709 0.87 MAPT (0.40) ALDH1A1PKMMAPTLMNAHPGD
SCHEMBL9705949 0.87 TPMT (0.39) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL9705803 0.87 NR1I2 (0.41) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL9705732 0.86 HDAC6 (0.41) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL9706267 0.85 KDM4E (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9862942 0.81 NR1I2 (0.40) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL9706246 0.81 HDAC6 (0.45) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL9863026 0.81 KMT2A (0.48) SMN1; SMN2MEN1KMT2AMAPK1POLB
SCHEMBL9863134 0.79 NR1I2 (0.41) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed