SCHEMBL9550438

SCHEMBL9550438

C=CC(c1nc2ccccc2[nH]1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 3/20 0.46
IDO1 P14902 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
FPR1 P21462 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
APEX1 P27695 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL38663558 0.80 LMNA (0.53) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL2860584 0.76 LMNA (0.53) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL1099367 0.76 ALDH1A1 (0.58) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL11487358 0.72 ALDH1A1 (0.40) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL10636343 0.71 ALDH1A1 (0.66) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL11663293 0.71 IDO1 (0.66) SMN1; SMN2ALDH1A1KDM4EPOLBIDO1
SCHEMBL1070187 0.71 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4EPOLBIDO1
SCHEMBL5800499 0.71 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL8504178 0.70 IDO1 (0.64) SMN1; SMN2ALDH1A1KDM4EPOLBIDO1
SCHEMBL9214713 0.69 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4EPOLBIDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5345984-A None JP disclosed
JP-H05345984-A SURFACE TREATING AGENT FOR COPPER AND COPPER ALLOY SHIKOKU CHEM CORP 1993-12-27 JP disclosed