SCHEMBL8176237

SCHEMBL8176237

CN(C)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 3/20 0.56
GPR35 Q9HC97 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
POLB P06746 1/20 0.54
ERN1 O75460 1/20 0.51
HCRTR1 O43613 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HSP90AA1 P07900 1/20 0.45
CDC25C P30307 2/20 0.45
HIF1A Q16665 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Methane SCHEMBL28281859 0.98 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL10876009 0.85 ALDH1A1 (0.63) ALDH1A1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL20494421 0.83 L3MBTL1 (0.56) ALDH1A1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL11819145 0.82 ALDH1A1 (0.64) ALDH1A1L3MBTL1TSHRTP53MAPK1
SCHEMBL1131658 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPK1
SCHEMBL28257783 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1TSHRMAPK1GAA
SCHEMBL30295546 0.79 L3MBTL1 (0.52) ALDH1A1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL26124297 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL8512556 0.78 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRMAPK1GAA
SCHEMBL9714022 0.78 HSD17B10 (0.60) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54154722-A None JP disclosed
WO-2017159484-A1 2,4-DIAMINOPHENOL DERIVATIVE, AND AGENT FOR INHIBITING AGGREGATION OF TAU AND/OR AMYLOID β 学校法人同志社 2017-09-21 WO disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
JP-S54154722-A METHOD OF REDUCTION TANABE SEIYAKU CO LTD 1979-12-06 JP disclosed
US-4138391-A Acrylonitrile-capped polyether-siloxanes UNION CARBIDE CORPORATION (US) 1979-02-06 US disclosed
US-4107068-A USED TO PREPARE CELLULAR POLYURETHANES UNION CARBIDE CORPORATION (US) 1978-08-15 US disclosed
US-4058493-A Polyester urethane foam produced with cyano-ether polysiloxane-polyoxyalkylene copolymers UNION CARBIDE CORPORATION (US) 1977-11-15 US disclosed
US-4058494-A Polyether urethane foam produced with cyano-ether polysiloxane-polyoxyalkylene copolymers UNION CARBIDE CORPORATION (US) 1977-11-15 US disclosed
US-3979420-A FLAME RETARDERS FOR POLYETHERURETHANE COPOLYMERS UNION CARBIDE CORPORATION (US) 1976-09-07 US disclosed
US-3979419-A STABILIZERS OF POLYESTER-URETHANE COPOLYMERS, FIREPROOFING UNION CARBIDE CORPORATION (US) 1976-09-07 US disclosed