SCHEMBL9756988

SCHEMBL9756988

O=C(C=Cc1c[nH]c2ccccc12)Nc1nnn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
BACE1 P56817 2/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9756852 0.79 MAPT (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1306609 0.76 MEN1 (0.64) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1306613 0.76 MEN1 (0.64) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22130444 0.76 NPC1 (0.54) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL13923635 0.75 KMT2A (0.62) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL9756853 0.75 KMT2A (0.46) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8053479 0.73 CFTR (0.62)
SCHEMBL531504 0.73 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL15486685 0.73 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL179873 0.73 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP claimed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed