SCHEMBL31228348

SCHEMBL31228348

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
GAA P10253 2/20 0.45
NPBWR1 P48145 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MCHR1 Q99705 1/20 0.45
ALDH1A1 P00352 3/20 0.41
MAOB P27338 2/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSB P07858 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 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
SCHEMBL419892 0.85 TSHR (0.47) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL18079514 0.85 TSHR (0.50) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL18765554 0.85 TSHR (0.50) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL8936167 0.79 MAOB (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL8936171 0.79 MAOB (0.51) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL17986870 0.77 TSHR (0.44) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL26820046 0.72 NR1H2 (0.35) TSHRALDH1A1MAOBLMNAKDM4E
SCHEMBL26670299 0.72 NR1H2 (0.35) TSHRALDH1A1MAOBLMNAKDM4E
SCHEMBL5390976 0.71 TSHR (0.44) TSHRGAANPBWR1KMT2ANPSR1
SCHEMBL13452589 0.71 ADRA2B (0.50) TSHRGAANPBWR1KMT2ANPSR1

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