SCHEMBL28568357

SCHEMBL28568357

NCCNCCNCCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ GRM7 Q14831 1/20 0.69
▸ ALOX15 P16050 2/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ HRH1 P35367 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 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
SCHEMBL8352681 0.88 MTOR (0.74) MTORRAB9AGRM7ALOX15CYP3A4
Hydrochloric Acid SCHEMBL28410803 0.86 CYP3A4 (0.75) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL27500645 0.84 MTOR (0.68) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL8095249 0.83 MTOR (1.00) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL5094749 0.82 MTOR (0.65) MTORRAB9AGRM7ALOX15CYP3A4
Hydrochloric Acid SCHEMBL3012657 0.81 CYP3A4 (1.00) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL10411095 0.79 MTOR (0.81) MTORRAB9AGRM7ALOX15CYP3A4
SCHEMBL28729974 0.78 MTOR (0.72) MTORRAB9AGRM7ALOX15CYP3A4
Isopropylbenzene SCHEMBL28259979 0.78 TAAR1 (0.47) ALOX15ALDH1A1LMNAGRIN1GRIN2A
SCHEMBL10537184 0.78 MTOR (0.40) MTORRAB9AGRM7ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112673042-B Accelerators for curing epoxy resins containing alkylated amines SIKA技术股份公司 2024-03-22 — — CN disclosed
CN-112789308-B Curing agent for epoxy resins SIKA技术股份公司 2023-09-15 — — CN disclosed
CN-112867747-A Curing agent for epoxy resins SIKA技术股份公司 2021-05-28 — — CN disclosed
CN-112789308-A Curing agent for epoxy resins SIKA技术股份公司 2021-05-11 — — CN disclosed
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