SCHEMBL8086775

SCHEMBL8086775

NCCCCc1csc(-c2cccnc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
GAA P10253 1/20 0.57
TP53 P04637 2/20 0.54
MAPT P10636 1/20 0.54
CYP19A1 P11511 2/20 0.54
ATM Q13315 1/20 0.54
AXL P30530 1/20 0.54
PBRM1 Q86U86 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
CYP2E1 P05181 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
ALDH1A1 P00352 6/20 0.52
HTT P42858 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 3/20 0.51

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
SCHEMBL28207213 0.86 KDM4E (0.64) KDM4EGAATP53MAPTCYP19A1
SCHEMBL8654407 0.86 KDM4E (0.57) KDM4EGAATP53MAPTCYP19A1
SCHEMBL27529848 0.84 KDM4E (0.58) KDM4EGAATP53MAPTCYP19A1
SCHEMBL8088081 0.84 HRH1 (0.51) KDM4EGAACYP19A1RAB9ANPC1
SCHEMBL8091022 0.84 LMNA (0.52) KDM4EMAPTATMHPGDRAB9A
Hydrochloric Acid SCHEMBL5009763 0.82 CYP19A1 (0.59) KDM4EGAATP53MAPTCYP19A1
SCHEMBL7106338 0.82 KDM4E (0.62) KDM4EGAATP53MAPTCYP19A1
SCHEMBL13862929 0.81 KDM4E (0.68) KDM4EGAATP53MAPTCYP19A1
SCHEMBL2434206 0.78 CYP19A1 (0.61) KDM4EGAATP53MAPTCYP19A1
SCHEMBL2817593 0.78 CYP2E1 (0.64) KDM4EGAATP53MAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed