SCHEMBL3424244

SCHEMBL3424244

O=C(O)CCNN=Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A1 P04798 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40

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
SCHEMBL3423108 0.81 TDP1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3425849 0.80 POLB (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3423902 0.79 MAPT (0.52) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3426361 0.79 TDP1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10457876 0.79 TDP1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9535199 0.77 MTNR1A (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9535196 0.77 MTNR1A (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10459037 0.77 CYP1A1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10459036 0.77 CYP1A1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5564838 0.75 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNAHTT

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-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 — — US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 — — US disclosed
Send feedback