SCHEMBL4078488

SCHEMBL4078488

N=C(N)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.44
KIF11 P52732 2/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
C1S P09871 1/20 0.38
PRSS3 P35030 1/20 0.38
RECQL P46063 1/20 0.38
WDR5 P61964 1/20 0.35
IDO1 P14902 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL21408117 0.80 KCNN4 (0.42) KCNN4KIF11F2F10F12
SCHEMBL28610159 0.78 F7 (0.38) KCNN4KIF11F2F10F12
SCHEMBL15739694 0.78 F7 (0.46) KCNN4F2F10F12F7
SCHEMBL22494164 0.78 ALDH1A1 (0.41) KCNN4F2F10F12F7
SCHEMBL3038981 0.77 ALDH1A1 (0.46) KCNN4KIF11KMT2AMAPTTSHR
SCHEMBL11721973 0.77 KCNN4 (0.50) KCNN4KIF11KMT2AMAPTTSHR
SCHEMBL2462307 0.77 MAPT (0.48) KCNN4KIF11BLMKMT2AMAPT
Hydrochloric Acid SCHEMBL11723541 0.76 KCNN4 (0.48) KCNN4KIF11BLMKMT2AMAPT
SCHEMBL9879652 0.74 MAPT (0.45) KCNN4KIF11BLMKMT2AMAPT
SCHEMBL28857886 0.72 CYP2D6 (0.41) KCNN4KIF11F2F10F12

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
CN-117940508-A Ethylene-alpha-olefin-non-conjugated diene copolymers having a high diene content per polymer chain and blends thereof 阿朗新科荷兰有限公司 2024-04-26 CN disclosed
WO-2020232534-A1 HOMODIMERIC TOBRAMYCIN ADJUVANT REPURPOSES NOVOBIOCIN AS AN EFFECTIVE ANTIBACTERIAL AGENT AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF MANITOBA (CA) 2020-11-26 WO disclosed
WO-2019190131-A1 TRIAZINE COMPOUND AND USE THEREOF 정하윤 2019-10-03 WO disclosed
EP-2081918-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-07-29 EP disclosed
WO-2008042928-A2 OXADIAZOLE AND THIADIAZOLE DERIVATIVES AS MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-04-10 WO disclosed
WO-2005025513-A2 GUANIDINIUM DERIVATIVES FOR IMPROVED CELLULAR TRANSPORT THE REGENTS OF THE UNIVERISTY OF CALIFORNIA (US) 2005-03-24 WO disclosed