SCHEMBL904823

SCHEMBL904823

CN1Cc2ccccc2N=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
ACHE P22303 6/20 0.41
BCHE P06276 3/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSD P07339 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
NOS3 P29474 1/20 0.35

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
SCHEMBL1490708 0.78 MAOA (0.40) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL4725456 0.75 SIGMAR1 (0.46) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL7732342 0.75 SIGMAR1 (0.42) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL4573279 0.75 SIGMAR1 (0.42) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL4725450 0.75 SIGMAR1 (0.42) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL11347558 0.72 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL13751428 0.71 HTR3A (0.35) LMNASMN1; SMN2MAOAMAOB
SCHEMBL6801284 0.69 SIGMAR1 (0.44) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL14608794 0.68 SIGMAR1 (0.43) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL18895799 0.68 SIGMAR1 (0.61) SIGMAR1ACHEBCHEMEN1USP2

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
EP-3400250-B1 PROCESS FOR PREPARING GRAFT COPOLYMER COMPRISING POLYETHYLENE SABIC GLOBAL TECHNOLOGIES BV (NL) 2022-04-20 EP disclosed
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed