SCHEMBL16694367

SCHEMBL16694367

CC(C)(C)c1ccncc1.c1cc(-c2ccncc2)ccn1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.86
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NOTUM Q6P988 1/20 0.48
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PABPC1 P11940 1/20 0.44
APOBEC3A P31941 1/20 0.44
EIF4H Q15056 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
GCGR P47871 2/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL3999289 0.92 KIF11 (1.00) KIF11MAPTLMNAHPGDTSHR
SCHEMBL820736 0.92 KIF11 (0.71) KIF11MAPTLMNAHPGDTSHR
SCHEMBL65312 0.92 KIF11 (0.71) KIF11MAPTLMNAHPGDTSHR
SCHEMBL28443995 0.89 KIF11 (0.68) KIF11MAPTLMNAHPGDTSHR
Lithium SCHEMBL29576172 0.89 KIF11 (0.68) KIF11MAPTLMNAHPGDTSHR
Ethane SCHEMBL3064994 0.89 KIF11 (0.68) KIF11MAPTLMNAHPGDTSHR
SCHEMBL20137330 0.89 KIF11 (0.68) KIF11MAPTLMNAHPGDTSHR
Hydrochloric Acid SCHEMBL15140525 0.89 KIF11 (0.68) KIF11MAPTLMNAHPGDTSHR
SCHEMBL29245411 0.89 KIF11 (0.68) KIF11MAPTLMNAHPGDTSHR
SCHEMBL27528935 0.89 KIF11 (0.68) KIF11MAPTLMNAHPGDTSHR

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-20150165415-A1 METAL COMPLEX, AND ABSORBENT, OCCLUSION MATERIAL AND SEPARATION MATERIAL PRODUCED THEREFROM KURARAY CO., LTD. (JP) 2015-06-18 US disclosed
EP-2871174-A1 METAL COMPLEX, AND ABSORBENT, OCCLUSION MATERIAL AND SEPARATION MATERIAL PRODUCED THEREFROM Kuraray Co., Ltd. (JP) 2015-05-13 EP disclosed