SCHEMBL1734136

SCHEMBL1734136

COc1ccc(-c2cnc(Nc3ccc(CN4CCN(C(=O)O)CC4)cc3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
PRKAA2 P54646 2/20 0.54
FAAH O00519 3/20 0.53
LSS P48449 1/20 0.53
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.48
PKM P14618 1/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
AXL P30530 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL1735202 0.92 PRKAA2 (0.54) SMN1; SMN2KDM4EGAAMAPTCYP2C9
SCHEMBL1734207 0.92 HRH3 (0.57) SMN1; SMN2KDM4EGAAMAPTCYP2C9
SCHEMBL27717846 0.90 PRKAA2 (0.53) SMN1; SMN2KDM4EGAAMAPTCYP2C9
SCHEMBL1735147 0.88 PRKAA2 (0.49) SMN1; SMN2KDM4EGAAMAPTCYP2C9
SCHEMBL27717849 0.86 PRKAA2 (0.49) SMN1; SMN2KDM4EGAAMAPTCYP2C9
SCHEMBL13605399 0.86 CHKA (0.55) JAK2JAK3PTK2AXLSIGMAR1
SCHEMBL13605418 0.86 CHKA (0.58) SMN1; SMN2PRKAA2JAK2JAK3PTK2
SCHEMBL13605398 0.85 AXL (0.52) GAAPRKAA2LSSALDH1A1POLB
SCHEMBL13605402 0.85 ALDH1A1 (0.70) SMN1; SMN2KDM4EGAAMAPTCYP2C9
SCHEMBL13605408 0.85 ACP1 (0.57) JAK2JAK3PTK2AXL

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-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed