SCHEMBL23946188

SCHEMBL23946188

C=C(C)c1ccc(C)cc1N1CCC2(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.45
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
KIF18A Q8NI77 9/20 0.36
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23981784 0.84 PAX8 (0.41) TSHRALDH1A1HTTLMNAMEN1
SCHEMBL614332 0.83 PAX8 (0.43) TSHRALDH1A1HTTLMNAMEN1
SCHEMBL22148386 0.82 FFAR4 (0.54) FFAR4TSHRHTTKIF18AMEN1
SCHEMBL26151048 0.78 FFAR4 (0.48) FFAR4KIF18ALMNAMEN1KMT2A
SCHEMBL22282364 0.77 FFAR4 (0.52) FFAR4TSHRHTTMEN1KMT2A
SCHEMBL31299031 0.72 KDM4E (0.50) FFAR4TSHRALDH1A1HTTKIF18A
SCHEMBL23981588 0.71 PAX8 (0.44) TSHRALDH1A1HTTLMNAMEN1
SCHEMBL6648664 0.70 FFAR4 (0.45) FFAR4TSHRHTTLMNAMEN1
SCHEMBL22148758 0.69 KIF18A (0.59) KIF18A
SCHEMBL24227047 0.69 KDM4E (0.43) TSHRHTTKIF18AMEN1KMT2A

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-2021211549-A1 KIF18A INHIBITORS FOR TREATMENT OF NEOPLASTIC DISEASES AMGEN INC. (US) 2021-10-21 WO disclosed