SCHEMBL9400347

SCHEMBL9400347

C=CCNC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NLRP3 Q96P20 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
AIMP2 Q13155 1/20 0.49
RIOK2 Q9BVS4 5/20 0.47
GSK3A P49840 3/20 0.47
MAPK10 P53779 3/20 0.47
MAPK8 P45983 1/20 0.47
HIPK1 Q86Z02 1/20 0.47
SNRK Q9NRH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL6631803 0.80 KCNH2 (0.58) MEN1KMT2AL3MBTL1SMN1; SMN2GLA
SCHEMBL24195991 0.79 MEN1 (0.62) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL22495484 0.78 ALDH1A1 (0.64) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL6890675 0.78 MEN1 (0.55) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL7822076 0.78 NR1H4 (0.62) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL7354818 0.78 MEN1 (0.51) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL11558110 0.77 NR1H4 (0.39) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL28372186 0.77 MEN1 (0.65) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL1520280 0.77 MEN1 (0.65) NR1H4MEN1KMT2ANLRP3L3MBTL1
SCHEMBL31713941 0.77 NR1H4 (0.57) NR1H4MEN1KMT2ANLRP3L3MBTL1

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
US-5332759-A Treating a disorder due to vasodilation of the vascular system ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed
US-3903163-A N,N-Disubstituted naphthaleneacetamidines DOW CHEMICAL CO 1975-09-02 US disclosed