SCHEMBL1126701

SCHEMBL1126701

COCCc1[nH]ccc1-c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
CYP2A6 P11509 3/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2B6 P20813 1/20 0.34
FYN P06241 1/20 0.33
IMPDH2 P12268 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 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
SCHEMBL1126683 0.73 KDM4E (0.40) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL20120137 0.72 CYP2A6 (0.40) CYP2A6CYP2E1CYP2B6FYNIMPDH2
SCHEMBL1127129 0.71 NUDT1 (0.42) MEN1KMT2AHPGDSLC6A9MAOB
SCHEMBL1126656 0.68 KMT2A (0.39) KMT2ACYP2A6MAPTALDH1A1KDM4E
SCHEMBL6057266 0.65
SCHEMBL22744325 0.65 CYP17A1 (0.47) CYP2A6CYP2E1CYP2B6
SCHEMBL7459145 0.63 CYP2A6 (0.35) MEN1KMT2AGFERCYP2A6FYN
SCHEMBL7462797 0.63 MEN1 (0.35) MEN1KMT2AGFERCYP2A6FYN
SCHEMBL19824760 0.63 TAAR1 (0.50) MEN1KMT2AHSD17B10MAPTALDH1A1
SCHEMBL2898794 0.62 ADRB2 (0.49) MEN1KMT2AFYNALDH1A1KDM4E

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed