SCHEMBL11327552

SCHEMBL11327552

CN1CCCC1Nc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CHRNB4 P30926 5/20 0.38
CHRNA3 P32297 5/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CHRNA7 P36544 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ADRA2C P18825 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
ESR2 Q92731 1/20 0.34
EPHX1 P07099 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6928868 0.82 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6928871 0.82 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6591943 0.75 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL12676513 0.73 POLB (0.49) POLBGFERKMT2A
SCHEMBL1409682 0.73 POLB (0.71) POLBDDB1CRBNLMNAALDH1A1
SCHEMBL13554974 0.70 POLB (0.57) POLBDDB1CRBNLMNAALDH1A1
SCHEMBL19831310 0.70 CYP3A4 (0.55) POLBALDH1A1GAAMAPTKMT2A
SCHEMBL14062185 0.70 RAD52 (0.53) ALDH1A1GFERKMT2ARAB9A
SCHEMBL3563193 0.69 CHRNB2 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL11031223 0.69 SMN1; SMN2 (0.46) LMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4247546-A Phosphonylureidobenzene derivatives and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
EP-0002723-B1 PHOSPHONYL-UREIDO-BENZENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION IN DRUGS BAYER AG (DE) 1981-01-21 EP disclosed
EP-0002723-A1 Phosphonyl-ureido-benzene derivatives, process for their preparation and their application in drugs BAYER AG (DE) 1979-07-11 EP disclosed