SCHEMBL27437070

SCHEMBL27437070

COc1ccc(CCNCCc2cc(F)cnc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTR2A P28223 2/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ BCHE P06276 3/20 0.42
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL22493445 0.82 SIGMAR1 (0.49) MEN1KMT2AADRB3HTTSMN1; SMN2
SCHEMBL26050037 0.79 ADRB2 (0.55) ALDH1A1KDM4EMEN1KMT2AADRB3
SCHEMBL9973127 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28661867 0.75 SMN1; SMN2 (0.65) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9973180 0.71 MAPT (0.70) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL22222297 0.70 KMT2A (0.66) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6469311 0.69 SMN1; SMN2 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4614753 0.69 MEN1 (0.71) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL22493446 0.69 HRH4 (0.33) —
SCHEMBL9921415 0.68 MAPT (0.59) MAPTMEN1KMT2AHTTSMN1; SMN2

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-2024137506-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
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