SCHEMBL11570831

SCHEMBL11570831

O=C(c1ccccc1)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MCL1 Q07820 2/20 0.39
BCL2L1 Q07817 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PGR P06401 1/20 0.37
FABP1 P07148 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36

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
SCHEMBL11534743 0.94 CYP19A1 (0.44) CYP19A1TDP1MAPTALDH1A1MGLL
SCHEMBL11530465 0.90 ALDH1A1 (0.42) CYP19A1MEN1KMT2ATDP1MAPT
SCHEMBL11539604 0.90 CYP19A1 (0.53) CYP19A1MEN1KMT2AMCL1BCL2L1
SCHEMBL11534709 0.87 TSHR (0.47) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL11533550 0.87 TSHR (0.44) CYP19A1MEN1KMT2ATDP1MCL1
SCHEMBL11537539 0.86 TSHR (0.46) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL11536254 0.84 MAPT (0.45) CYP19A1KMT2AMAPTALDH1A1LMNA
SCHEMBL11534227 0.84 LMNA (0.47) CYP19A1TDP1MAPTALDH1A1LMNA
SCHEMBL11533723 0.83 SMN1; SMN2 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11538658 0.83 CYP19A1 (0.45) CYP19A1MEN1KMT2AMAPTALDH1A1

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-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed