SCHEMBL6326417

SCHEMBL6326417

Cc1ccc(-c2noc(CCC(=O)NCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 3/20 0.57
LMNA P02545 6/20 0.56
HTT P42858 3/20 0.56
USP2 O75604 3/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX15 P16050 1/20 0.50
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL6325574 0.95 TSHR (0.58) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6327228 0.95 TSHR (0.58) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6325121 0.95 GAA (0.54) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6323211 0.93 CYP1A2 (0.60) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6334127 0.91 CYP1A2 (0.52) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6326570 0.91 TSHR (0.53) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6328500 0.91 GAA (0.54) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6332642 0.91 GAA (0.54) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6323563 0.91 TSHR (0.57) TSHRSMN1; SMN2MAPTLMNAHTT
SCHEMBL6334322 0.89 CYP1A2 (0.49) TSHRSMN1; SMN2MAPTLMNAHPGD

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed