SCHEMBL4558026

SCHEMBL4558026

O=c1ccnccn1.O=c1ccnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
BCHE P06276 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNA1 Q09470 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
CTSD P07339 1/20 0.36
DDAH1 O94760 1/20 0.36
NOS1 P29475 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
NOTUM Q6P988 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
SCHEMBL700728 1.00
Hydrochloric Acid SCHEMBL30282892 0.97
Acetic Acid SCHEMBL8013671 0.85 NAPRT (0.44) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20525130 0.67
SCHEMBL7682390 0.67
SCHEMBL21358014 0.65 LMNA (0.46) MAPTLMNASMN1; SMN2MEN1KMT2A
Quinoxaline SCHEMBL10462492 0.62 ALDH1A1 (0.50) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL130113 0.62
SCHEMBL8909638 0.62
SCHEMBL31437084 0.61 TSHR (0.50) MAPTLMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 EP disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 EP disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO disclosed