SCHEMBL9877762

SCHEMBL9877762

C=C(c1cccnc1)C(C)(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNMA1 Q12791 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 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
SCHEMBL9877295 0.85 LMNA (0.57) CYP19A1ALDH1A1LMNAPKMKDM4E
SCHEMBL10510419 0.74 CYP19A1 (0.62) CYP19A1CYP3A4CYP3A5
SCHEMBL9877266 0.74 CYP19A1 (0.50) CYP19A1ALDH1A1LMNARAB9AMEN1
SCHEMBL800783 0.71 LMNA (0.51) ALDH1A1LMNAPKMRAB9ACYP3A4
SCHEMBL9877984 0.71 LMNA (0.45) ALDH1A1LMNAPKMKDM4ERAB9A
SCHEMBL10585789 0.69 KMT2A (0.57) ALDH1A1LMNAPKMKDM4ERAB9A
SCHEMBL10373815 0.69 POLB (0.43) CYP19A1ALDH1A1LMNACYP3A4TDP1
SCHEMBL11140207 0.69 CYP19A1 (0.58) CYP19A1ALDH1A1LMNAPKMKDM4E
SCHEMBL9877145 0.66 LMNA (0.57) CYP19A1ALDH1A1LMNARAB9AMEN1
SCHEMBL9877764 0.66 ALDH1A1 (0.51) ALDH1A1LMNAPKMKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036074-A In agriculture and horticulture CIBA-GEIGY CORPORATION (US) 1991-07-30 US disclosed