SCHEMBL22120899

SCHEMBL22120899

O=S(=O)(c1cccc(Br)n1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MCOLN3 Q8TDD5 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 3/20 0.43

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
SCHEMBL12753749 0.81 HSD11B1 (0.65) TSHRMCOLN3MEN1KMT2AALDH1A1
SCHEMBL22120805 0.80 TSHR (0.49) TSHRCYP3A4CYP2C9CYP2C19MCOLN3
SCHEMBL9735682 0.80 TSHR (0.49) TSHRCYP3A4CYP2C9CYP2C19MCOLN3
SCHEMBL9734635 0.78 SMN1; SMN2 (0.47) TSHRCYP3A4CYP2C9CYP2C19MCOLN3
SCHEMBL22624291 0.75 HSD11B1 (0.48) MCOLN3LMNAHSD11B1
SCHEMBL9734149 0.74 TSHR (0.42) TSHRCYP3A4CYP2C9CYP2C19MCOLN3
SCHEMBL18918811 0.73 HSD11B1 (0.46) HSD11B1
SCHEMBL6616459 0.72 TSHR (0.56) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9734509 0.72 HSD11B1 (0.42) TSHRCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4839 0.72 HTR6 (0.48) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1

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-3898592-A1 HETEROARYL AMIDES USEFUL AS KIF18A INHIBITORS Amgen Inc. (US) 2021-10-27 EP disclosed
WO-2020132653-A1 HETEROARYL AMIDES USEFUL AS KIF18A INHIBITORS AMGEN INC. (US) 2020-06-25 WO disclosed
WO-2020132653-A1 HETEROARYL AMIDES USEFUL AS KIF18A INHIBITORS AMGEN INC. (US) 2020-06-25 WO disclosed