SCHEMBL3433722

SCHEMBL3433722

Cc1cccc(-c2cc3ccccc3[nH]2)c1-c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ESR1 P03372 1/20 0.55
KDR P35968 2/20 0.54
AURKA O14965 2/20 0.54
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CHEK1 O14757 1/20 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
SCHEMBL29727516 0.88 KDR (0.60) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL4890695 0.86 RAB9A (0.62) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL29941586 0.86 RAB9A (0.62) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL8306288 0.81 PRKDC (0.55) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL9293419 0.80 KDM4E (0.56) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL5051826 0.80 KDR (0.68) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL10176240 0.78 KDR (0.61) KDM4EMAPTRAB9AMEN1ALDH1A1
Methane SCHEMBL28704887 0.78 KDR (0.66) KDM4EMAPTRAB9AMEN1ALDH1A1
Benzene SCHEMBL27629233 0.78 RAB9A (0.69) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL29177803 0.77 RAB9A (0.60) KDM4EMAPTRAB9AMEN1ALDH1A1

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-2222659-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF The Ohio State University Research Foundation (US) 2010-09-01 EP disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 WO disclosed