SCHEMBL27712969

SCHEMBL27712969

CC(=O)Oc1cc(-c2ccc(F)cc2)sc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.52
TUBB P07437 4/20 0.52
TUBA3C P0DPH7 4/20 0.52
TUBA1B P68363 4/20 0.52
TUBA4A P68366 4/20 0.52
TUBB4B P68371 4/20 0.52
TUBB3 Q13509 4/20 0.52
TUBB2A Q13885 4/20 0.52
TUBB8 Q3ZCM7 4/20 0.52
TUBA3E Q6PEY2 4/20 0.52
TUBA1A Q71U36 4/20 0.52
TUBA1C Q9BQE3 4/20 0.52
TUBB6 Q9BUF5 4/20 0.52
TUBB2B Q9BVA1 4/20 0.52
TUBB1 Q9H4B7 4/20 0.52
IKBKB O14920 5/20 0.51
CHUK O15111 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL5728244 0.86 IKBKB (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27712944 0.85 MAPT (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5432647 0.73 MAPT (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27713217 0.73 IKBKB (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5727951 0.72 IKBKB (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1428039 0.72 IKBKB (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4680572 0.72 IKBKB (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27789075 0.71 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5728563 0.71 MAPT (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7054417 0.71 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-101094845-A Substituted thiophenes AICURIS GMBH & CO KG (DE) 2007-12-26 CN disclosed