SCHEMBL27995877

SCHEMBL27995877

CC(=O)Oc1cnc(NCc2ccc(F)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.44
▸ VNN1 O95497 5/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ FYN P06241 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 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
SCHEMBL15531453 0.78 MAPT (0.52) P4HTMVNN1MAPTSMN1; SMN2LMNA
SCHEMBL14197864 0.75 KDM4E (0.48) P4HTMSMN1; SMN2LMNAGAAALDH1A1
SCHEMBL27995879 0.74 SCD (0.53) P4HTMVNN1SMN1; SMN2LMNAATG4B
SCHEMBL4888849 0.72 HDAC1 (0.51) P4HTMVNN1SMN1; SMN2LMNAGAA
SCHEMBL11394043 0.67 P4HTM (0.67) P4HTMVNN1MAPTSMN1; SMN2LMNA
SCHEMBL11387130 0.67 P4HTM (0.56) P4HTMVNN1MAPTSMN1; SMN2LMNA
SCHEMBL15010419 0.66 FYN (0.49) VNN1MAPTGAAATG4BNPC1
SCHEMBL7828381 0.66 CCNE1 (0.67) VNN1MAPTSMN1; SMN2LMNAGAA
SCHEMBL29071442 0.66 RAB9A (0.74) MAPTSMN1; SMN2LMNAGAAALDH1A1
SCHEMBL27518079 0.66 VNN1 (0.40) VNN1MAPTSMN1; SMN2LMNAGAA

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
CN-104271572-A Thiazolecarboxamide derivatives for use as nampt inhibitors ABBVIE INC 2015-01-07 — — CN disclosed
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