SCHEMBL20217529

SCHEMBL20217529

N=C(c1ccc(N2C3CCC2CC(O)C3)cc1)c1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 7/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX7 Q99572 5/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
KCNA3 P22001 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
SCHEMBL20217728 0.84 P2RX7 (0.46) L3MBTL1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL20217503 0.83 L3MBTL1 (0.46) L3MBTL1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL16308804 0.78 CYP3A4 (0.57) L3MBTL1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL16296527 0.78 CYP3A4 (0.57) L3MBTL1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL16296529 0.78 CYP3A4 (0.57) L3MBTL1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL20211273 0.78 CYP3A4 (0.57) L3MBTL1GAAALDH1A1LMNASMN1; SMN2
SCHEMBL20217341 0.77 CYP3A4 (0.40) ALDH1A1LMNACYP3A4RAB9A
SCHEMBL20217804 0.77 RAB9A (0.43) L3MBTL1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL20217473 0.74 MAPT (0.40) L3MBTL1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL20217636 0.74 NAMPT (0.39) MAPK1

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed