SCHEMBL27768554

SCHEMBL27768554

O=Cc1nnc(-c2ccncc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
HPGD P15428 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 5/20 0.53
POLB P06746 2/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.45
RCE1 Q9Y256 1/20 0.45
MAPK8 P45983 3/20 0.43
MAPK10 P53779 3/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL10972611 0.82 CA1 (0.50) KDM4EALDH1A1POLBALOX15KMT2A
SCHEMBL9568684 0.79 KMT2A (0.47) KDM4EALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL18003902 0.79 MGAM (0.55) KDM4EALDH1A1HSD17B10POLBKMT2A
SCHEMBL27768804 0.79 KDM4E (0.58) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL10561406 0.79 KDM4E (0.71) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL212851 0.74 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL4467860 0.71 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL369633 0.69 KDM4E (1.00) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL969939 0.69 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL3962310 0.69 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10POLB

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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed