SCHEMBL23043589

SCHEMBL23043589

Cc1ccc(N2CCCC[C@@H]2C)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.53
TP53 P04637 3/20 0.52
MAPT P10636 2/20 0.52
PBRM1 Q86U86 12/20 0.48
SMARCA2 P51531 9/20 0.48
SMARCA4 P51532 8/20 0.48
NR1I2 O75469 5/20 0.48
NR1H3 Q13133 2/20 0.48
NR1H2 P55055 2/20 0.48
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL29978661 1.00 GFER (0.53) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL23043645 0.83 HTT (0.55) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL29978273 0.83 HTT (0.55) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL23043647 0.81 NR1I2 (0.46) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL29978338 0.81 NR1I2 (0.46) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL23850826 0.80 GFER (0.49) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL3485573 0.80 GFER (0.49) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL3485570 0.80 GFER (0.49) GFERTP53MAPTPBRM1SMARCA2
SCHEMBL23043568 0.79 PBRM1 (0.54) GFERPBRM1SMARCA2SMARCA4NR1I2
SCHEMBL29512584 0.79 PBRM1 (0.54) GFERPBRM1SMARCA2SMARCA4NR1I2

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
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed