SCHEMBL19440754

SCHEMBL19440754

CCC(C)(C)N1CCN(c2ncccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SLC6A7 Q99884 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL19966681 0.93 HRH3 (0.43) LMNAMAPTHRH3SMN1; SMN2HSD17B10
SCHEMBL8261413 0.82 LMNA (0.52) LMNAMAPTHRH3SMN1; SMN2HSD17B10
SCHEMBL18893549 0.80 KDM4E (0.59) MAPTHRH3SMN1; SMN2HSD17B10KDM4E
SCHEMBL11955036 0.79 CYP2D6 (0.49) SMN1; SMN2HSD17B10ALDH1A1KMT2AMEN1
SCHEMBL23251555 0.77 HDAC3 (0.42) LMNAHRH3SMN1; SMN2HSD17B10KDM4E
SCHEMBL6663539 0.77 — —
SCHEMBL10498542 0.77 LMNA (0.70) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14192112 0.76 LMNA (0.46) LMNAMAPTHRH3SMN1; SMN2HSD17B10
SCHEMBL2633644 0.75 MEN1 (0.54) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL21121000 0.74 HRH3 (0.38) HRH3ALDH1A1TDP1

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-9783525-B2 Map kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-10 — — US disclosed
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