SCHEMBL15319341

SCHEMBL15319341

CC1Cc2c(Br)cccc2C(C)S1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL15320015 0.80 ACHE (0.40) ALDH1A1PARP10PARP11
SCHEMBL15319396 0.75 GID4 (0.41) GID4KDM4EALDH1A1PARP10PARP11
SCHEMBL16534360 0.75 PDE5A (0.39) GID4KDM4EALDH1A1
SCHEMBL15321555 0.72 ADRA2A (0.40) ALDH1A1
SCHEMBL20153040 0.69 OPRM1 (0.41) KDM1A
SCHEMBL2968862 0.69 ALDH1A1 (0.38) GID4KDM4EALDH1A1BRD4KDM1A
SCHEMBL17969853 0.68 GID4 (0.45) GID4KDM4EALDH1A1PARP10PARP11
SCHEMBL15319240 0.68 KDM4E (0.37) GID4KDM4EALDH1A1BRD4KDM1A
SCHEMBL16349504 0.67 ALDH1A1 (0.36) GID4KDM4EALDH1A1BRD4KDM1A
SCHEMBL1321294 0.67 ALDH1A1 (0.36) GID4KDM4EALDH1A1BRD4PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834233-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS Orion Corporation (FI) 2015-02-11 EP disclosed
WO-2013150173-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2013-10-10 WO disclosed