SCHEMBL31228482

SCHEMBL31228482

N#CCN(Cc1ccccc1)C[C@H](Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAOB P27338 3/20 0.40
LMNA P02545 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSB P07858 1/20 0.34
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
PYCR1 P32322 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1D1 P20393 1/20 0.33
CNR2 P34972 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL421947 0.85 POLB (0.41) ALDH1A1LMNAKDM4ETSHRCYP3A4
SCHEMBL421948 0.85 POLB (0.41) ALDH1A1LMNAKDM4ETSHRCYP3A4
SCHEMBL9733498 0.85 TSHR (0.40) ALDH1A1KDM4ETSHRTDP1CNR2
SCHEMBL8936121 0.83 MAOB (0.47) ALDH1A1MAOBLMNAKDM4ECTSB
SCHEMBL8936116 0.83 MAOB (0.47) ALDH1A1MAOBLMNAKDM4ECTSB
SCHEMBL17986869 0.80 MAOB (0.42) ALDH1A1MAOBLMNAKDM4ECTSB
SCHEMBL27968570 0.79 ALDH1A1 (0.56) ALDH1A1MAOBLMNAKDM4ECTSB
SCHEMBL5703569 0.73 NR1D1 (0.53) ALDH1A1MAOBCTSBPYCR1MEN1
SCHEMBL20428928 0.73 ALDH1A1 (0.48) ALDH1A1MAOBLMNACTSBTSHR
SCHEMBL11228448 0.71 HDAC3 (0.41) ALDH1A1TSHRMEN1KMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed