SCHEMBL27979892

SCHEMBL27979892

Nc1c(I)cc(I)c(I)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19693158 0.84 TPMT (0.56) TPMTLMNACHRM1TBXA2RPDE4A
SCHEMBL124763 0.83 TSHR (0.46) TPMTLMNACYP2C9CHRM1TBXA2R
SCHEMBL29394151 0.83 TSHR (0.46) TPMTLMNACYP2C9CHRM1TBXA2R
SCHEMBL27980012 0.83 TPMT (0.46) TPMTLMNACYP2C9CHRM1TBXA2R
SCHEMBL6396616 0.81 TSHR (0.45) TPMTLMNACYP2C9CHRM1TBXA2R
SCHEMBL21783790 0.76 TPMT (0.48) TPMTLMNACYP2C9HIF1ATSHR
Butanedione SCHEMBL27926797 0.75 LMNA (0.44) TPMTLMNACYP2C9CHRM1TBXA2R
SCHEMBL4277000 0.75 TPMT (0.52) TPMTCYP1A2TSHRMAPK1CA1
SCHEMBL31409214 0.75 TPMT (0.52) TPMTCYP1A2TSHRMAPK1CA1
SCHEMBL27979946 0.74 TPMT (0.46) TPMTLMNACYP2C9CHRM1TBXA2R

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
CN-104070307-B Solder flux composition and solder composition 株式会社田村制作所 2018-02-23 CN disclosed
CN-104070307-A FLUX COMPOSITION AND SOLDER COMPOSITION TAMURA SEISAKUSHO KK 2014-10-01 CN disclosed