SCHEMBL27948360

SCHEMBL27948360

O=CN1CCNC(c2ccccc2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.44
▸ RAB9A P51151 1/20 0.37
▸ HTR6 P50406 4/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ADRB1 P08588 1/20 0.33

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
SCHEMBL19049065 0.82 HTR2C (0.39) GSK3BSLC6A3SMN1; SMN2HTR2C
SCHEMBL10388908 0.79 KDM4E (0.44) GSK3B
SCHEMBL30368129 0.78 GSK3B (0.48) GSK3BHTR6
SCHEMBL27520764 0.77 GSK3B (0.43) GSK3BRAB9AHTR6SLC6A3
SCHEMBL19049080 0.75 GSK3B (0.44) GSK3BRAB9A
SCHEMBL31444433 0.75 GSK3B (0.43) GSK3BHTR6TP53HTR2AHTR2C
SCHEMBL10349658 0.75 GSK3B (0.46) GSK3B
Hydrochloric Acid SCHEMBL10382897 0.74 GSK3B (0.45) GSK3BHTR2AHTR2CHTR2B
SCHEMBL18997546 0.72 GSK3B (0.42) GSK3B
SCHEMBL18947216 0.72 EPHX2 (0.43) GSK3B

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
CN-101878217-B Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO LTD 2014-01-15 — — CN disclosed
Send feedback