SCHEMBL9464811

SCHEMBL9464811

CCN(CC)CCn1nc(-c2ccccc2Cl)nc(C(C)C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MITF O75030 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ UHRF1 Q96T88 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ EGFR P00533 2/20 0.40
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 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
SCHEMBL9464784 0.80 MCHR1 (0.41) POLBNPC1RAB9AHTTSMN1; SMN2
SCHEMBL9464943 0.79 HRH4 (0.41) KMT2AEGFRTUBB4ATUBBTUBA3C
SCHEMBL9464694 0.78 ALDH1A1 (0.47) POLBHTTKMT2ACYP2D6APAF1
SCHEMBL9464805 0.77 KDM5B (0.35) L3MBTL1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9464791 0.76 ALDH1A1 (0.45) KMT2ASMN1; SMN2FGFR1SRCCYP2D6
SCHEMBL9464915 0.76 ALDH1A1 (0.45) KMT2ASMN1; SMN2FGFR1SRCCYP2D6
SCHEMBL9464936 0.69 HRH4 (0.42) L3MBTL1KDM5BCYP2D6NSD2MAPT
SCHEMBL9464781 0.68 DPP4 (0.39) POLBNPC1RAB9AL3MBTL1KDM5B
SCHEMBL9464688 0.66 LMNA (0.37) POLBNPC1RAB9AHTTKMT2A
SCHEMBL9465183 0.65 ALDH1A1 (0.43) HTTKMT2ASMN1; SMN2L3MBTL1MAPT

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
US-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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