SCHEMBL19784873

SCHEMBL19784873

Brc1ccc(C=C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
CYP11B2 P19099 2/20 0.57
ERBB2 P04626 1/20 0.53
KMT2A Q03164 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
PARP1 P09874 1/20 0.41
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
TPI1 P60174 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
AR P10275 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL9177137 0.82 CYP19A1 (0.48) CYP19A1CYP11B2ERBB2KMT2ATUBB4A
SCHEMBL4153920 0.82 ERBB2 (0.46) CYP19A1CYP11B2ERBB2KMT2APARP1
SCHEMBL9177130 0.82 CYP19A1 (0.48) CYP19A1CYP11B2ERBB2KMT2ATUBB4A
SCHEMBL28305491 0.81 LCK (0.59) ERBB2KMT2AALPLALPILCK
SCHEMBL14077393 0.81 CYP2A6 (0.50) CYP19A1CYP11B2ERBB2KMT2ATUBB4A
SCHEMBL283216 0.80 CYP19A1 (0.67) CYP19A1CYP11B2KMT2APARP1TUBB4A
SCHEMBL19036868 0.80 CYP19A1 (0.50) CYP19A1CYP11B2KMT2ATUBB4ATUBB
SCHEMBL4541307 0.78 CYP19A1 (0.62) CYP19A1CYP11B2KMT2APARP1TUBB4A
SCHEMBL1225662 0.77 CYP19A1 (0.57) CYP19A1CYP11B2KMT2APARP1LMNA
SCHEMBL4135006 0.77 CYP19A1 (0.57) CYP19A1CYP11B2KMT2AALPLALPI

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-113480394-A Green synthesis method of alkylene fluorene 温州大学 2021-10-08 CN disclosed
WO-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 WO disclosed