SCHEMBL24197155

SCHEMBL24197155

CNc1ccc(CN(C)C)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ PRKCQ Q04759 7/20 0.38
▸ PRKCD Q05655 7/20 0.38
▸ LYN P07948 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ EED O75530 1/20 0.34
▸ LCK P06239 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ PRKCH P24723 1/20 0.34
▸ PRKCE Q02156 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ LOXL2 Q9Y4K0 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
SCHEMBL13207194 0.77 SAE1 (0.38) LMNAALDH1A1LOXL2
SCHEMBL20095958 0.76 HRH3 (0.41) HRH3LMNAEEDALDH1A1TSHR
SCHEMBL18006944 0.76 PYCR1 (0.46) SRCHRH3LMNAEEDALDH1A1
SCHEMBL18006892 0.72 TRPV4 (0.47) HRH3EEDTAAR1
SCHEMBL17194382 0.72 HRH3 (0.41) HRH3EEDALDH1A1TSHRTAAR1
SCHEMBL17194144 0.71 ALDH1A1 (0.42) SRCPRKCQALDH1A1TSHR
SCHEMBL28381748 0.71 LOXL2 (0.41) LMNAALDH1A1LOXL2
SCHEMBL6125232 0.69 ROCK2 (0.37) TSHR
SCHEMBL8440146 0.69 KDM4E (0.52) LMNAALDH1A1
SCHEMBL20375313 0.69 SRC (0.39) SRCTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022011211-A1 DEOXYNOJIRIMYCIN DERIVATIVES AS GLUCOSIDASE INHIBITORS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2022-01-13 — — WO disclosed
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