SCHEMBL11378554

SCHEMBL11378554

CCCCOCCS(=O)(=O)c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA7 P43166 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MMP1 P03956 1/20 0.33
RARB P10826 1/20 0.32
CYP3A4 P08684 2/20 0.32
CNOT7 Q9UIV1 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL11374150 0.86 LOX (0.35)
SCHEMBL11380059 0.85 SOAT1 (0.34) TSHRALDH1A1HPGDCA12CA1
SCHEMBL11788309 0.84 SOAT1 (0.35)
SCHEMBL11375532 0.82 LOXL2 (0.37) ALDH1A1HPGDLMNAHTTRAB9A
SCHEMBL11561606 0.72 KDM4E (0.35)
SCHEMBL20139156 0.70 TSHR (0.38) TSHRALDH1A1LMNARECQLRARB
SCHEMBL11556664 0.69 SMN1; SMN2 (0.43) TSHRALDH1A1CA12CA2CA9
SCHEMBL11567113 0.68 MEN1 (0.44) TSHRLMNAHTTCYP2C9
SCHEMBL11564054 0.67 SMN1; SMN2 (0.42) TSHRALDH1A1CA12CA1CA2
SCHEMBL11556631 0.67 TSHR (0.45) TSHRALDH1A1LMNAHTTNPC1

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-4251262-A 1-Carbamoyl-1,2,4-triazole herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1981-02-17 US disclosed