SCHEMBL28758680

SCHEMBL28758680

c1ccc2cc(Cn3c4ccccc4c4ccccc43)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
MCL1 Q07820 1/20 0.58
VDR P11473 1/20 0.54
F2 P00734 2/20 0.53
F10 P00742 2/20 0.53
PRSS1 P07477 2/20 0.53
BACE1 P56817 2/20 0.50
KMT2A Q03164 1/20 0.50
P2RX4 Q99571 3/20 0.49
HTR3A P46098 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC10 Q969S8 1/20 0.47
CYP1A2 P05177 2/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL18382514 0.86 CYP19A1 (0.53) CYP19A1MCL1VDRF2F10
SCHEMBL25930735 0.82 MCL1 (0.47) CYP19A1MCL1VDRF2F10
SCHEMBL13957035 0.82 CYP19A1 (0.86) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL17468682 0.81 MCL1 (0.44) CYP19A1MCL1VDRF2F10
SCHEMBL14849331 0.81 CYP19A1 (0.64) CYP19A1P2RX4HDAC6HDAC1HDAC10
SCHEMBL9128630 0.80 CYP19A1 (0.76) CYP19A1KMT2AP2RX4HDAC6HDAC1
SCHEMBL19669322 0.80 MCL1 (0.43) CYP19A1MCL1VDRF2F10
SCHEMBL26214830 0.80 MCL1 (0.48) CYP19A1MCL1VDRF2F10
SCHEMBL16186874 0.79 CYP19A1 (0.72) CYP19A1KMT2AP2RX4HDAC6HDAC1
SCHEMBL25930681 0.78 CYP1A2 (0.47) CYP19A1MCL1VDRF2F10

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-100412060-C Prepn of-2-(N-carbazolyl)-ethoxy carbohydrazide DALIAN CHEMICAL PHYSICS INST (CN) 2008-08-20 CN disclosed
CN-1810789-A Prepn of-2-(N-carbazolyl)-ethoxy carbohydrazide DALIAN CHEMICAL PHYSICS INST (CN) 2006-08-02 CN disclosed