SCHEMBL9364339

SCHEMBL9364339

O=c1oc2ccccc2n1CC#CBr

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
TSHR P16473 3/20 0.62
HPGD P15428 3/20 0.62
USP2 O75604 2/20 0.62
ALDH1A1 P00352 5/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MIF P14174 1/20 0.55
LMNA P02545 1/20 0.54
IDO1 P14902 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.48

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
SCHEMBL17039271 0.84 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL536696 0.84 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL4151771 0.81 MAPK1 (0.68) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL17036528 0.80 MAPK1 (0.57) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL3027838 0.80 MAPK1 (0.66) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL31236317 0.80 MAPK1 (0.66) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL9715941 0.79 IDO1 (0.61) IDO1
SCHEMBL9365104 0.79 TDP1 (0.47) HPGDALDH1A1LMNAIDO1POLB
SCHEMBL12124412 0.78 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL30416948 0.75 ALDH1A1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427484-B1 Novel benzoxazolone compounds and the use thereof as microbicides ROHM & HAAS (US) 1994-07-20 EP disclosed
US-5102898-A Halosubstituted alkyne group; fungicides ROHM AND HAAS COMPANY (US) 1992-04-07 US disclosed
EP-0427484-A1 Novel benzoxazolone compounds and the use thereof as microbicides ROHM AND HAAS COMPANY (US) 1991-05-15 EP disclosed