SCHEMBL13624863

SCHEMBL13624863

Cc1nc(-c2c[nH]c3ccccc23)c[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.60
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 5/20 0.54
THRB P10828 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54

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
Nortopsentin D SCHEMBL29489921 0.81 PDGFRB (0.62) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4398433 0.79 MAPT (0.62) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4400158 0.79 PDGFRB (0.56) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL25034150 0.78 TUBB4A (0.68) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL17179315 0.78 TUBB4A (0.63) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11960986 0.77 PDGFRB (0.47) PDGFRBALDH1A1KDM4EMEN1KMT2A
SCHEMBL14300518 0.77 CYP1A2 (0.46) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL25034151 0.76 PDGFRB (1.00) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL25034156 0.75 MAPT (0.57) PDGFRBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13963152 0.75 HTR1B (0.44) PDGFRBMAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US disclosed