SCHEMBL8810782

SCHEMBL8810782

c1ccc(CNCc2cccc(-c3ccn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.37
▸ TACR1 P25103 1/20 0.35
▸ FYN P06241 2/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ MPO P05164 1/20 0.34
▸ SLC2A4 P14672 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL8812096 0.93 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL8809135 0.82 MAP4K4 (0.45) NMT1KMT2AALDH1A1MEN1
SCHEMBL8810145 0.80 KMT2A (0.57) BCHEFYNNMT1METAP2MPO
SCHEMBL5800759 0.79 KMT2A (0.52) KMT2AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL27623829 0.77 MAOB (0.40) FYNKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8810656 0.76 TRIM24 (0.38) KMT2AALDH1A1KDM4EMEN1
SCHEMBL28044043 0.74 MAOB (0.43) FYNALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL3847454 0.71 MAOB (0.40) KMT2AALDH1A1KDM4E
SCHEMBL9234564 0.71 KMT2A (0.38) FYNKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL9404829 0.70 DYRK1A (0.42) TACR1FYNKMT2AKDM4EHTT

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
Send feedback