SCHEMBL14047421

SCHEMBL14047421

CC1N=C(N2CCN(Cc3ccc(F)cc3)C2=O)SC1C(=O)NCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40

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
SCHEMBL14047603 0.93 SCD (0.57) SCDSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL14047625 0.90 SCD (0.57) SCDSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL14047400 0.90 SCD (0.57) SCDSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL14047404 0.89 SCD (0.47) SCDSMN1; SMN2TSHRRAB9ATP53
SCHEMBL14047409 0.89 SCD (0.47) SCDSMN1; SMN2TSHRRAB9ATP53
SCHEMBL14047539 0.84 SCD (0.53) SCDALDH1A1KMT2AHPGDHDAC1
SCHEMBL14047595 0.82 SCD (0.56) SCDALDH1A1HPGDHDAC1
SCHEMBL14047532 0.79 HDAC1 (0.44) SCDKMT2AHDAC1P2RX7
SCHEMBL14047531 0.75 SCD (0.41) SCDALDH1A1KMT2AHPGD
SCHEMBL14047406 0.75 SCD (0.44) SCDSMN1; SMN2ALDH1A1TSHRKMT2A

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-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 — — WO disclosed
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