SCHEMBL3262815

SCHEMBL3262815

Cc1cc(NC2(C)C=CC=CC2C(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.52
GAA P10253 3/20 0.49
TSHR P16473 1/20 0.48
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.43
STAT1 P42224 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3307842 0.84 LMNA (0.42) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL1814085 0.83 KCNJ6 (0.37) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL3306636 0.83 KMT2A (0.36) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL1814487 0.81 KDM4E (0.40) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL1816105 0.81 KDM4E (0.44) NTRK1GAAKCNJ6KCNJ5KCNJ3
SCHEMBL3299180 0.81 HTT (0.40) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL3261317 0.78 NTRK1 (0.38) NTRK1HPGDALDH1A1HTTLMNA
SCHEMBL11163620 0.74 NAPRT (0.34) GAATSHRMAPK1ALDH1A1KMT2A
SCHEMBL15717788 0.71 NTRK1 (0.85) NTRK1GAATSHRKCNJ6KCNJ5
SCHEMBL16595134 0.70 NTRK1 (1.00) NTRK1GAATSHRKCNJ6KCNJ5

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
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed