SCHEMBL11256987

SCHEMBL11256987

Cc1cnc(C)c(-c2ccc(O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 6/20 0.45
▸ VRK1 Q99986 1/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ RPS6KA3 P51812 4/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ ESRRA P11474 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ BCR P11274 1/20 0.38

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
SCHEMBL22660459 0.83 DYRK1A (0.46) USP7VRK1RPS6KA3MEN1KMT2A
SCHEMBL13562426 0.81 FYN (0.46) VRK1ABL1CCR1CCR5CCR8
SCHEMBL624413 0.81 USP7 (0.69) USP7
SCHEMBL11262307 0.81 CYP2A6 (0.44) VRK1ABL1CCR1CCR5CCR8
SCHEMBL10105111 0.80 PSMB5 (0.49) ABL1CCR1CCR5CCR8MEN1
SCHEMBL11259631 0.78 ALDH1A1 (0.47) VRK1ABL1RPS6KA3MEN1KMT2A
SCHEMBL13562437 0.78 MKNK1 (0.60) ABL1
SCHEMBL16194268 0.77 FYN (0.39) USP7ABL1CLK1DYRK1ADYRK2
SCHEMBL15257349 0.75 PTGS2 (0.60) —
SCHEMBL13562427 0.75 RPS6KA3 (0.49) USP7ABL1RPS6KA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4366319-A Process for preparing 5-(pyridinyl)benzoxazol-2(3H)-ones STERLING DRUG INC. (US) 1982-12-28 — — US disclosed
US-4310531-A 5-(Pyridinyl)-benzoxazol-2(3H)-ones and their use as cardiotonics STERLING DRUG INC. (US) 1982-01-12 — — US disclosed
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