SCHEMBL9685518

SCHEMBL9685518

COc1ccc(N2CCc3c(C)nc4ccccc4c32)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.58
JAK2 O60674 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53

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
SCHEMBL9684732 0.84 KDM4E (0.72) MEN1KMT2AGAAJAK2CYP1A2
SCHEMBL9684739 0.84 KDM4E (0.49) GAAKDM4EALDH1A1GLAHTT
SCHEMBL2834821 0.83 KDM4E (0.71) MEN1KMT2AGAAJAK2CYP1A2
SCHEMBL9684726 0.83 KDM4E (0.62) KDM4EALDH1A1
SCHEMBL456582 0.80 KMT2A (0.76) MEN1KMT2AGAAJAK2CYP1A2
Hydrochloric Acid SCHEMBL2831468 0.79 KMT2A (0.74) MEN1KMT2AGAAJAK2CYP1A2
SCHEMBL8481477 0.78 KDM4E (0.54) MEN1KMT2AGAAJAK2CYP1A2
SCHEMBL2833278 0.77 KDM4E (0.54) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL9685720 0.76 KDM4E (0.56) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL454616 0.76 KMT2A (0.70) MEN1KMT2AGAAJAK2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP claimed
EP-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP disclosed
US-5051508-A Antisecretory agents and enzyme inhibitors as antiulcer agents SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1991-09-24 US disclosed
EP-0307078-A1 Quinoline derivatives, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-03-15 EP disclosed