SCHEMBL7833178

SCHEMBL7833178

Oc1cccc2c1C1C=CC=CC1N2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
SNCA P37840 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL21740555 0.75 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL16727304 0.70 TSHR (0.37) TSHR
SCHEMBL15704498 0.69 HSPA1A (0.38) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL19004692 0.69 HSPA1A (0.38) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL454276 0.69 HSPA1A (0.38) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL23740626 0.69 NR4A1 (0.46) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL8620692 0.67 CREBBP (0.37) MEN1GAAMAPTKMT2AALOX15
SCHEMBL10080214 0.66 TSHR (0.41) MEN1ALDH1A1GAAKMT2ACYP1A2
SCHEMBL12333958 0.66 TNKS2 (0.37) ALDH1A1KMT2ACYP1A2HPGDTSHR
Acetic Acid SCHEMBL11557554 0.65 HSPA1A (0.44) ALDH1A1GAAMAPTKMT2AMCL1

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-0918752-A4 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RES INC (US) 2001-11-21 EP disclosed
EP-0918752-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1999-06-02 EP disclosed
WO-1997044000-A3 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RES INC (US) 1997-12-31 WO disclosed
WO-1997044000-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1997-11-27 WO disclosed