SCHEMBL5635354

SCHEMBL5635354

COc1ccc(-c2noc(C3CCN(C(=O)C(F)(F)F)CC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ POLB P06746 2/20 0.56
▸ TUBB4A P04350 2/20 0.56
▸ TUBB P07437 2/20 0.56
▸ TUBA3C P0DPH7 2/20 0.56
▸ TUBA1B P68363 2/20 0.56
▸ TUBA4A P68366 2/20 0.56
▸ TUBB4B P68371 2/20 0.56
▸ TUBB3 Q13509 2/20 0.56
▸ TUBB2A Q13885 2/20 0.56
▸ TUBB8 Q3ZCM7 2/20 0.56
▸ TUBA3E Q6PEY2 2/20 0.56
▸ TUBA1A Q71U36 2/20 0.56
▸ TUBA1C Q9BQE3 2/20 0.56
▸ TUBB6 Q9BUF5 2/20 0.56
▸ TUBB2B Q9BVA1 2/20 0.56

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
SCHEMBL25172097 0.87 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5634133 0.85 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4415594 0.84 HTT (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20676389 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL30584792 0.78 GRM5 (0.66) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL30584793 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL30506336 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3553397 0.77 CPT1A (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL20116087 0.77 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2POLBTUBB4A
SCHEMBL30584896 0.77 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
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