SCHEMBL26101702

SCHEMBL26101702

CC(C)(C)C1CN(CCCOCCc2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.41
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2J2 P51589 3/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL15435914 0.78 HRH3 (0.34) HRH3KDM4ELMNASMN1; SMN2POLB
SCHEMBL15435944 0.77 HTR1A (0.35) HRH3KDM4ESMN1; SMN2
SCHEMBL26099081 0.74 HRH1 (0.50) SIGMAR1
SCHEMBL19611373 0.74 HTR1B (0.40) KDM4ELMNASMN1; SMN2RAB9APOLB
SCHEMBL15435917 0.74 MEN1 (0.44) HRH3KDM4ESMN1; SMN2RAB9ASIGMAR1
SCHEMBL3657529 0.73 CYP2J2 (0.32) LMNACYP2J2
SCHEMBL15435926 0.73 MEN1 (0.39) HRH3KDM4ECYP2J2
SCHEMBL28801840 0.72 DRD2 (0.47) HRH3KDM4ELMNA
SCHEMBL26098436 0.72 KDM4E (0.58) KDM4ELMNAPOLB
SCHEMBL1525497 0.72 CYP2J2 (0.33) LMNACYP2J2SIGMAR1POLB

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
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed