SCHEMBL11186239

SCHEMBL11186239

c1ccc(C2=NC(c3ccccc3)CN2c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ATM Q13315 1/20 0.61
NPC1 O15118 1/20 0.45
ALPL P05186 2/20 0.41
ALPI P09923 1/20 0.41
ADRA2B P18089 1/20 0.41
DRD1 P21728 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
BLM P54132 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39

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
SCHEMBL28801759 0.89 MEN1 (0.54) MEN1KMT2AATMNPC1ALPL
SCHEMBL29018052 0.82 MEN1 (0.68) MEN1KMT2AATMNPC1ALPL
SCHEMBL5119400 0.77 PTGS2 (0.51) MEN1KMT2AATMNPC1ALDH1A1
SCHEMBL29018172 0.74 MEN1 (0.58) MEN1KMT2AATMNPC1MAPK1
SCHEMBL6506725 0.73 MEN1 (0.51) MEN1KMT2AATMNPC1ALPL
SCHEMBL6499602 0.73 MEN1 (0.51) MEN1KMT2AATMNPC1ALPL
SCHEMBL7695527 0.73 NPC1 (0.40) MEN1KMT2AATMNPC1ALPL
Iodide SCHEMBL3258439 0.72 MEN1 (0.50) MEN1KMT2AATMNPC1ALPL
Iodide SCHEMBL3259488 0.72 MEN1 (0.50) MEN1KMT2AATMNPC1ALPL
SCHEMBL6617867 0.71 CYP1A2 (0.39) MEN1KMT2AATMCYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114990554-A Neutralization corrosion inhibitor and preparation method and application thereof 武汉三友石化有限公司 2022-09-02 CN claimed
CN-109468629-B Environment-friendly stainless steel workpiece passivation process 重庆大学 2020-12-22 CN claimed
CN-118879156-A Solvent-free epoxy coating composition with ultra-long pot life, coating, preparation method and application thereof 信和新材料股份有限公司 2024-11-01 CN disclosed
CN-118215379-A Organic light emitting diode 乐金显示有限公司 2024-06-18 CN disclosed
CN-114990554-A Neutralization corrosion inhibitor and preparation method and application thereof 武汉三友石化有限公司 2022-09-02 CN disclosed
CN-111320414-B Ultra-high performance concrete dry powder additive and preparation method thereof 桂林理工大学 2022-04-19 CN disclosed
CN-109468629-B Environment-friendly stainless steel workpiece passivation process 重庆大学 2020-12-22 CN disclosed
CN-111441054-A High-acid high-salt corrosion inhibitor suitable for low-temperature part of oil refining device 丁双龙 2020-07-24 CN disclosed
CN-111320414-A Ultra-high performance concrete dry powder additive and preparation method thereof 桂林理工大学 2020-06-23 CN disclosed
EP-0069445-A1 Process for making benzimidazoles UNIROYAL, INC. (US) 1983-01-12 EP disclosed