SCHEMBL6180973

SCHEMBL6180973

O=C(CCN1CCCCC1)Nc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.57
CHRNA7 P36544 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
IKBKB O14920 1/20 0.45
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TERT O14746 3/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Hydrochloric Acid SCHEMBL6181405 0.99 TGFBR1 (0.57) TGFBR1CHRNA7ALDH1A1POLBLMNA
SCHEMBL6179924 0.92 TGFBR1 (0.53) TGFBR1LMNATERTMAPT
SCHEMBL6179278 0.92 TGFBR1 (0.50) TGFBR1LMNA
SCHEMBL6180800 0.91 TGFBR1 (0.69) TGFBR1CHRNA7ALDH1A1POLBKMT2A
SCHEMBL373333 0.91 TGFBR1 (0.70) TGFBR1CHRNA7ALDH1A1KMT2ATSHR
SCHEMBL6180633 0.85 TGFBR1 (0.62) TGFBR1ALDH1A1LMNATSHRMAPT
SCHEMBL373363 0.80 TGFBR1 (0.69) TGFBR1HRH3
SCHEMBL373029 0.79 TGFBR1 (0.66) TGFBR1
SCHEMBL6832028 0.76 TGFBR1 (0.54) TGFBR1HRH3
SCHEMBL14006002 0.76 CHRNA7 (0.74) CHRNA7

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
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP claimed