SCHEMBL11188697

SCHEMBL11188697

OC(Cn1cncn1)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.51
IGF1R P08069 6/20 0.41
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CXCR3 P49682 1/20 0.40
SLC18A3 Q16572 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL11185728 0.92 HMOX1 (0.45) HMOX1IGF1RTSHRPOLBHPGD
SCHEMBL11270600 0.84 NPSR1 (0.49) CYP19A1TSHRMEN1KMT2APOLB
SCHEMBL9634892 0.84 CYP19A1 (0.50) CYP19A1MEN1KMT2APOLBHPGD
SCHEMBL11273790 0.84 CYP19A1 (0.59) IGF1RCYP19A1TSHRKMT2APOLB
SCHEMBL7783933 0.83 TSHR (0.58) CYP19A1TSHRMEN1KMT2APOLB
SCHEMBL5544140 0.83 TSHR (0.58) CYP19A1TSHRMEN1KMT2APOLB
SCHEMBL11089745 0.83 CYP19A1 (0.43) HMOX1CYP19A1MEN1KMT2APOLB
SCHEMBL11185511 0.81 CYP19A1 (0.59) CYP19A1TSHR
SCHEMBL10999589 0.81 MEN1 (0.49) HMOX1CYP19A1TSHRMEN1KMT2A
SCHEMBL11271596 0.80 CYP19A1 (0.46) HMOX1CYP19A1MEN1KMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4400388-A Fungicidal 1-phenyl-2-(1,2,4-triazol-1-yl)-ethyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
US-4349556-A Pesticidally active 1-acyloxy-1-phenyl-2-azolyl-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
US-4327104-A FUNGICIDES AND BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
US-4102891-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed