SCHEMBL13639840

SCHEMBL13639840

C/C=C/CCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.52
EGLN3 Q9H6Z9 1/20 0.48
PRKCI P41743 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL28726885 0.88
SCHEMBL2945279 0.82 TBXAS1 (0.52) TBXAS1EGLN3PRKCIKDM4EALDH1A1
SCHEMBL13635784 0.82 TBXAS1 (0.56) TBXAS1EGLN3PRKCIKDM4EALDH1A1
SCHEMBL2945280 0.82 TBXAS1 (0.52) TBXAS1EGLN3PRKCIKDM4EALDH1A1
SCHEMBL3310813 0.82 TBXAS1 (0.52) TBXAS1EGLN3PRKCIKDM4EALDH1A1
SCHEMBL9744563 0.79
SCHEMBL14874232 0.79
SCHEMBL4326680 0.79
SCHEMBL4429215 0.79 TBXAS1 (0.60) TBXAS1EGLN3PRKCIALDH1A1CYP11B1
Hydrochloric Acid SCHEMBL28684964 0.78 TBXAS1 (0.53) TBXAS1EGLN3ALDH1A1CYP11B1CYP11B2

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
EP-2520621-A1 Ink composition and method for forming the ink DelSolar Co., Ltd. (TW) 2012-11-07 EP disclosed