SCHEMBL9724434

SCHEMBL9724434

CC1=CC(C)(C)N(c2ccc(C)cc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.55
LMNA P02545 4/20 0.55
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 6/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL8871090 0.77 NPSR1 (0.48) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL9724430 0.76 NPSR1 (0.45) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL11263171 0.76 ALDH1A1 (0.54) NPSR1LMNAMAPK1ALDH1A1KMT2A
SCHEMBL27476136 0.74 NPSR1 (0.44) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL27512035 0.73 LMNA (0.47) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL7684485 0.73 LMNA (0.47) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL27512034 0.73 NPSR1 (0.47) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL2393621 0.73 LMNA (0.57) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL8832558 0.72 NPSR1 (0.43) NPSR1LMNATSHRUSP2MAPK1
SCHEMBL28312197 0.72 LMNA (0.46) NPSR1LMNATSHRUSP2MAPK1

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
US-5137795-A Photosensitivity, contrast AGFA-GEVAERT, N.V. (BE) 1992-08-11 US disclosed
EP-0452569-A1 Electrophotographic recording material AGFA-GEVAERT N.V. (BE) 1991-10-23 EP disclosed