SCHEMBL9877666

SCHEMBL9877666

CCN(CC)CC#CCN(C=O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
KCNH2 Q12809 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL9473535 0.88 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ACHRM2
SCHEMBL12650288 0.82 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL14855616 0.76 HPGD (0.46) ALDH1A1HPGDKMT2AMAPTLMNA
SCHEMBL9878013 0.76 MAOA (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL14493279 0.75 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10296224 0.75 GSK3B (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL9877664 0.73 MEN1 (0.43) ALDH1A1MEN1KMT2ACYP2C19CYP2D6
SCHEMBL7529780 0.72 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL6551871 0.72 ALDH1A1 (0.53) ALDH1A1HPGDMAPTLMNAKCNH2
SCHEMBL8673185 0.72 HSD11B1 (0.51) ALDH1A1MEN1KMT2ALMNANPSR1

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-5036098-A Urogenital disorders NIPPON SHINYAKU CO., LTD. (JP) 1991-07-30 US disclosed