SCHEMBL9872651

SCHEMBL9872651

CC(C)c1ccc2c(c1)CCC1C(C)(CNCCC(N)c3ccc(F)cc3)CCCC21C

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ PDK1 Q15118 1/20 0.62
▸ PDK2 Q15119 1/20 0.62
▸ PDK3 Q15120 1/20 0.62
▸ PDK4 Q16654 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ TP53 P04637 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ KARS1 Q15046 1/20 0.60
▸ TDP1 Q9NUW8 9/20 0.59

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
Hydrochloric Acid SCHEMBL9870783 0.99 MEN1 (0.63) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL9873442 0.90 MEN1 (0.60) MEN1CYP3A4KMT2ATSHRPDK1
Hydrochloric Acid SCHEMBL9871882 0.89 MEN1 (0.61) MEN1CYP3A4KMT2ATSHRPDK1
Hydrochloric Acid SCHEMBL9872189 0.89 MEN1 (0.61) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL19174219 0.87 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL17470671 0.87 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL239240 0.87 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL29353573 0.87 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL14496652 0.87 TDP1 (0.63) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL289598 0.85 MEN1 (0.77) MEN1CYP3A4KMT2ATSHRPDK1

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
US-5039706-A Antiinflammatory, antiallergenic agent DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-13 — — US claimed
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