SCHEMBL23640316

SCHEMBL23640316

COc1ccc2c(Br)c(OC)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 1/20 0.48
RAD52 P43351 1/20 0.48
SLC2A1 P11166 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL13456015 0.87 CA12 (0.52) CYP19A1CYP11B1CYP11B2CA12CA1
SCHEMBL5979768 0.86 CYP11B1 (0.62) CYP19A1CYP11B1CYP11B2CA1CA2
SCHEMBL14156999 0.84 MAPT (0.44) CYP19A1CYP11B1CYP11B2CA12CA1
SCHEMBL3019686 0.83 NCEH1 (0.58) CYP19A1CYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL3010069 0.82 CYP11B1 (0.65) CYP19A1CYP11B1CYP11B2CYP1A2CYP2A6
SCHEMBL31553099 0.82 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2CA12CA1
SCHEMBL14279013 0.81 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2CA1CA2
SCHEMBL8557380 0.80 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL1359473 0.80 ESR1 (0.53) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL23060791 0.80 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4

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
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
EP-3848367-A1 TRICYCLIC COMPOUNDS ACTING ON CRBN PROTEINS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-07-14 EP disclosed