SCHEMBL10397333

SCHEMBL10397333

COc1cc(CF)nc2nc(S(=O)(=O)Nc3c([N+](=O)[O-])ccc(C)c3C)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
AGTR1 P30556 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 3/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
TXNRD1 Q16881 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
USP2 O75604 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL10475027 0.91 MEN1 (0.32) TSHRKDM4EKMT2AALDH1A1MEN1
SCHEMBL10397567 0.89 TSHR (0.40) TSHRAGTR1KDM4EKMT2AALDH1A1
SCHEMBL7848967 0.81 AGTR1 (0.35) TSHRAGTR1KDM4EKMT2AALDH1A1
SCHEMBL10473579 0.81 TSHR (0.35) TSHRKDM4EKMT2AALDH1A1MEN1
SCHEMBL9376515 0.81 TSHR (0.39) TSHRKMT2AALDH1A1POLBPKM
SCHEMBL9376704 0.80 TSHR (0.39) TSHRKMT2AALDH1A1MEN1GAA
SCHEMBL9832764 0.78 TSHR (0.51) TSHRALDH1A1MAPTPOLBPKM
SCHEMBL9377384 0.78 TSHR (0.44) TSHRKMT2AALDH1A1GAAUSP2
SCHEMBL9380038 0.77 TSHR (0.43) TSHRALDH1A1USP2
SCHEMBL8355405 0.77 TSHR (0.43) TSHRALDH1A1USP2

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
US-4979981-A BIODEGRADABLE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed
US-4904301-A HERBICIDE THE DOW CHEMICAL COMPANY (US) 1990-02-27 US disclosed