SCHEMBL31406342

SCHEMBL31406342

Cc1ccc(N)cc1CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ CASP1 P29466 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ GAA P10253 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ PTK2B Q14289 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
SCHEMBL10622757 0.93 ALDH1A1 (0.39) ALDH1A1CASP1KMT2AMAPK1TSHR
SCHEMBL3410340 0.77 CCR3 (0.43) CASP1KMT2ACYP3A4MAPTLMNA
SCHEMBL10620013 0.76 KMT2A (0.43) ALDH1A1CASP1KMT2AMAPK1TSHR
SCHEMBL2232910 0.74 ALDH1A1 (0.56) ALDH1A1CASP1KMT2AMAPK1TSHR
SCHEMBL1641579 0.74 GBA1 (0.42) ALDH1A1PDE10A
SCHEMBL12766912 0.74 GBA1 (0.42) ALDH1A1PDE10A
SCHEMBL4283790 0.73 KMT2A (0.50) ALDH1A1CASP1KMT2AMAPK1TSHR
SCHEMBL31203132 0.73 HTR1D (0.43) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL455280 0.73 ALDH1A1 (0.54) ALDH1A1CASP1KMT2AMAPK1TSHR
SCHEMBL5953121 0.73 ALDH1A1 (0.54) ALDH1A1CASP1KMT2AMAPK1TSHR

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-2025054369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 — — WO disclosed
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