SCHEMBL14599175

SCHEMBL14599175

Cc1c(C=S)cc([N+](=O)[O-])c2cnncc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.34
▸ MAPT P10636 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MITF O75030 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL14629168 0.73 TDP1 (0.35) TDP1MAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL14599185 0.66 SMN1; SMN2 (0.51) TDP1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9668223 0.65 TSHR (0.60) TDP1MAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL3086822 0.62 ALDH1A1 (0.46) MAPTSMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL1473281 0.59 TDP1 (0.56) TDP1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL6840452 0.59 MAPT (0.55) TDP1MAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL30890603 0.59 SMN1; SMN2 (0.54) TDP1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL10613846 0.59 ALDH1A1 (0.41) TDP1MAPTKMT2AMEN1CYP3A4
SCHEMBL7850448 0.59 SMN1; SMN2 (0.54) TDP1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL25786786 0.58 CYP1A2 (0.56) TDP1MAPTSMN1; SMN2NPSR1KMT2A

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-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 — — US disclosed
Send feedback