SCHEMBL19823932

SCHEMBL19823932

C=Cc1ccc(-n2cncn2)c(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
FBP1 P09467 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL14321689 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
SCHEMBL14321518 0.81 CYP1A2 (0.50) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
SCHEMBL14321657 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
Cyanide SCHEMBL27958675 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
SCHEMBL1957646 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
SCHEMBL14321468 0.78 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
SCHEMBL14321436 0.78 BLM (0.41) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
SCHEMBL14321628 0.76 MAPT (0.53) ALDH1A1FBP1MAPTKMT2A
SCHEMBL14321150 0.73 KDM4E (0.70) ALDH1A1SMN1; SMN2KDM4EFBP1CYP1A2
SCHEMBL21893412 0.71 LMNA (0.43) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9

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
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed