SCHEMBL4099644

SCHEMBL4099644

Cc1cc2cccc(Br)c2n1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
DHFR P00374 1/20 0.33
SLC2A1 P11166 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MDM2 Q00987 1/20 0.32
LMNA P02545 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL18000197 0.76 CMA1 (0.37) ALDH1A1MDM2LMNAMAOAMAOB
SCHEMBL1885008 0.73 KMT2A (0.42) ALDH1A1DHFRSLC2A1SMN1; SMN2LMNA
SCHEMBL19643772 0.73 DHFR (0.43) ALDH1A1DHFRSLC2A1SMN1; SMN2LMNA
SCHEMBL4081070 0.70 CSNK1E (0.36) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4082423 0.67 SLC6A2 (0.44)
SCHEMBL1272210 0.65 TYMS (0.45) ALDH1A1SMN1; SMN2MDM2LMNA
SCHEMBL4083412 0.64 NOS1 (0.34) SMN1; SMN2LMNA
SCHEMBL19121794 0.64 KDM4E (0.40) ALDH1A1
SCHEMBL14627848 0.64 LMNA (0.47) ALDH1A1LMNAMCOLN3
SCHEMBL20356287 0.64 HTR2A (0.41) ALDH1A1DHFRSLC2A1SMN1; SMN2LMNA

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
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed