SCHEMBL10943709

SCHEMBL10943709

CC(C)(C)c1cc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(C(C)(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ GALR3 O60755 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ AKR1C3 P42330 3/20 0.50
▸ AKR1C2 P52895 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.42
▸ AR P10275 6/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ PDE7A Q13946 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ ABCC8 Q09428 1/20 0.38

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
SCHEMBL9353959 0.86 KMT2A (0.59) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL10946018 0.80 AKR1C3 (0.57) AKR1C3AKR1C2ALDH1A1ARPDE7A
SCHEMBL10934571 0.80 CYP1A2 (0.51) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL28283181 0.79 AKR1C3 (0.63) AKR1C3AKR1C2ALDH1A1ARPDE7A
SCHEMBL10937122 0.79 AKR1C3 (0.52) MEN1KMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL10928662 0.79 SMN1; SMN2 (0.54) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL3207733 0.79 AR (0.53) MEN1KMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL4859122 0.78 MEN1 (0.69) MEN1KMT2AGALR3HTTSMN1; SMN2
Water SCHEMBL4793650 0.78 AKR1C3 (0.61) AKR1C3AKR1C2ALDH1A1ARPDE7A
SCHEMBL21398693 0.78 MEN1 (0.53) MEN1KMT2AGALR3HTTSMN1; SMN2

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-4538005-A Aromatic coupling process ETHYL CORPORATION (US) 1985-08-27 — — US claimed
US-4538005-A Aromatic coupling process ETHYL CORPORATION (US) 1985-08-27 — — US disclosed
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