SCHEMBL24016010

SCHEMBL24016010

CC(=O)NC(C)(CO)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.44
GUCY1A2 P33402 1/20 0.44
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CETP P11597 2/20 0.38
BLM P54132 1/20 0.38
CYP2D6 P10635 1/20 0.38
AGTR1 P30556 1/20 0.37
LMNA P02545 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
IMPDH2 P12268 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL26464566 1.00 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL25587522 0.86 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL25587523 0.86 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL25587521 0.86 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL23666718 0.80 IMPDH2 (0.48) L3MBTL1SMN1; SMN2ALDH1A1TSHRCNR1
SCHEMBL24015529 0.75 CYP3A4 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL24015881 0.75 CYP3A4 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL15630941 0.73 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2ALDH1A1TSHRBLM
SCHEMBL11989403 0.73 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2ALDH1A1TSHRHDAC6
SCHEMBL24016012 0.72 RAB9A (0.41) SMN1; SMN2ALDH1A1TSHRCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed