SCHEMBL4309904

SCHEMBL4309904

c1cc(C2C(c3ccncc3)C2c2ccncc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
KCNA1 Q09470 1/20 0.50
CHRM5 P08912 1/20 0.43
CHKA P35790 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK10 P53779 1/20 0.42
HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL27751124 1.00 MAPT (0.50) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13700383 0.84 LMNA (0.50) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL22193260 0.82 MAPT (0.41) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL29783472 0.80 CHRNB2 (0.49) SMN1; SMN2MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL12533704 0.71 CYP1A2 (0.43) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL18919011 0.71
SCHEMBL12533707 0.71 CYP1A2 (0.43) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1515255 0.71
SCHEMBL18919013 0.71
SCHEMBL12533718 0.71 CYP1A2 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7481866-B2 Gas storage materials and devices UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-01-27 US claimed
US-20090000474-A1 GAS STORAGE MATERIALS AND DEVICES NATIONAL SCIENCE FOUNDATION 2009-01-01 US claimed
US-7481866-B2 Gas storage materials and devices UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-01-27 US disclosed
US-20090000474-A1 GAS STORAGE MATERIALS AND DEVICES NATIONAL SCIENCE FOUNDATION 2009-01-01 US disclosed
EP-1513612-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-03-16 EP disclosed
WO-2004042270-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-05-21 WO disclosed