SCHEMBL30949196

SCHEMBL30949196

O=C(O)c1ccc(=O)n(-c2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NAPRT Q6XQN6 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
MARS1 P56192 2/20 0.47
ALKBH2 Q6NS38 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
INSR P06213 1/20 0.40
ROS1 P08922 1/20 0.40
PIM1 P11309 1/20 0.40
PHKG2 P15735 1/20 0.40

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
SCHEMBL25077985 1.00 LMNA (0.49) LMNAL3MBTL1NAPRTP4HTMMARS1
SCHEMBL30949240 0.86 MARS1 (0.48) L3MBTL1MARS1ALDH1A1EP300KAT2B
SCHEMBL31747771 0.82 POLB (0.47) ALDH1A1CNR1CNR2PLK4ROCK2
SCHEMBL25078379 0.82 POLB (0.47) ALDH1A1CNR1CNR2PLK4ROCK2
SCHEMBL924712 0.78 RPA1 (0.56) LMNAL3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL17011147 0.78 MARS1 (0.53) LMNAL3MBTL1NAPRTP4HTMMARS1
SCHEMBL25078489 0.75 NAPRT (0.45) LMNAL3MBTL1NAPRTP4HTMALDH1A1
SCHEMBL31459727 0.75 MARS1 (0.50) LMNAL3MBTL1NAPRTP4HTMMARS1
SCHEMBL3193063 0.74 ALKBH2 (0.53) LMNAL3MBTL1NAPRTP4HTMMARS1
SCHEMBL31524136 0.74 ALKBH2 (0.53) LMNAL3MBTL1NAPRTP4HTMMARS1

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
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed