SCHEMBL23584557

SCHEMBL23584557

Clc1ncnc2c1ncn2C1CCC(CN2CCCC2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ ABL1 P00519 3/20 0.41
▸ RIN1 Q13671 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ADCY1 Q08828 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 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
SCHEMBL23584692 0.86 PI4KA (0.57) ALDH1A1MAPK1LMNAALBCYP1A2
SCHEMBL2035453 0.84 ALDH1A1 (0.60) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL2035452 0.84 ALDH1A1 (0.60) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL24600957 0.84 ALDH1A1 (0.60) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL23584826 0.83 YTHDC1 (0.55) —
SCHEMBL27574575 0.81 BCHE (0.44) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL23584461 0.80 PRMT5 (0.38) MEN1
SCHEMBL19003220 0.79 BCHE (0.43) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL24021920 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL12652428 0.77 BCHE (0.43) ALDH1A1MAPK1LMNAALBCYP1A2

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
EP-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
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