SCHEMBL11640997

SCHEMBL11640997

[NH]c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ TSHR P16473 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ GPR35 Q9HC97 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ PTPRC P08575 1/20 0.44
▸ S100A4 P26447 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ PDE7A Q13946 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.41
▸ TXNRD3 Q86VQ6 1/20 0.41
▸ TXNRD2 Q9NNW7 1/20 0.41

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
SCHEMBL3277269 0.80 PTPRC (0.54) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL30317899 0.80 PTPRC (0.54) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL11050883 0.78 PTPRC (0.57) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL3804579 0.77 GPR35 (0.59) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL1181388 0.77 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL4259186 0.77 ALDH1A1 (0.64) ALDH1A1TSHRTDP1GPR35TP53
SCHEMBL31219515 0.77 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL11648848 0.76 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL15201566 0.75 ALDH1A1 (0.47) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL431642 0.75 ALDH1A1 (0.62) ALDH1A1TSHRTDP1CYP3A4LMNA

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-4113939-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US claimed
US-4113939-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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