SCHEMBL9750203

SCHEMBL9750203

CC(=O)c1ccc(-n2nn[nH]c2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KCNJ1 P48048 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIA2 P42262 1/20 0.37
XDH P47989 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL12892341 0.85 ALDH1A1 (0.48) TSHRNPC1RAB9AMAPTHPGD
SCHEMBL17946006 0.82 TSHR (0.51) TSHRKCNJ1NPC1RAB9ACYP3A4
SCHEMBL12892332 0.80 MAPT (0.46) TSHRCYP3A4MAPTHPGDKMT2A
SCHEMBL6570236 0.78 MAPT (0.36) MAPTHPGDKMT2AALDH1A1
SCHEMBL8049848 0.73 ALDH1A1 (0.44) TSHRNPC1MAPTHPGDKMT2A
SCHEMBL1247788 0.73 HPGD (0.47) TSHRCYP3A4MAPTHPGDKMT2A
SCHEMBL367379 0.73 ALDH1A1 (0.39) TSHRRAB9AMAPTHPGDKMT2A
SCHEMBL12436082 0.67 LMNA (0.60) TSHRKCNJ1CYP3A4BAZ2BMAPT
SCHEMBL6396275 0.66 ALDH1A1 (0.41) TSHRHPGDKMT2AALDH1A1L3MBTL1
SCHEMBL3294203 0.66 TSHR (0.51) TSHRKCNJ1CYP3A4BAZ2BMAPT

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-5141846-A Method for preparing photographic emulsion POLAROID CORPORATION (US) 1992-08-25 US disclosed