SCHEMBL28404198

SCHEMBL28404198

CC(C)(C)NC(=O)O[C@@H](CO)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
ALPL P05186 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
FPR2 P25090 1/20 0.35
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL28821222 0.87 TSHR (0.42) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL28995697 0.87 RAB9A (0.40) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL27674503 0.85 LMNA (0.39) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL27674502 0.85 LMNA (0.39) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL28862367 0.85 MAPT (0.47) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL29199783 0.84 NPSR1 (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL27571172 0.84 NPSR1 (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL28764261 0.83 ALDH1A1 (0.40) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL28069939 0.83 ALDH1A1 (0.40) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL25222548 0.81 KMT2A (0.47) KMT2ANPC1RAB9AMEN1ALDH1A1

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
CN-112218859-A Modulators of proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2021-01-12 CN disclosed
CN-111212835-A Compounds and methods for targeted degradation of androgen receptors 阿尔维纳斯运营股份有限公司 2020-05-29 CN disclosed