SCHEMBL8078586

SCHEMBL8078586

COc1ccc(-c2ccsc2)cc1NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
CYP2A6 P11509 1/20 0.43
ERN1 O75460 1/20 0.43
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 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
SCHEMBL5992568 0.77 GAK (0.48) KCNH2PDGFRBPDGFRACYP2A6ERN1
SCHEMBL4459254 0.77 KDM4E (0.59) HDAC1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL6130391 0.76 KDM4E (0.57) HDAC1MEN1POLBKMT2A
SCHEMBL4444229 0.76 MEN1 (0.51) KCNH2PDGFRBPDGFRACYP2A6ERN1
SCHEMBL8078437 0.75 SMPD3 (0.52) HDAC2GHSRTACR1MEN1KMT2A
SCHEMBL8083575 0.74 KDM4E (0.52) KCNH2HDAC1HDAC2MEN1POLB
SCHEMBL26414634 0.73 ERN1 (0.50) KCNH2PDGFRBPDGFRACYP2A6ERN1
SCHEMBL4685840 0.73 NR4A2 (0.61) HDAC1HDAC2PDGFRBPDGFRACYP2A6
SCHEMBL27703952 0.72 ERN1 (0.49) KCNH2PDGFRBPDGFRACYP2A6ERN1
SCHEMBL8526954 0.72 PDGFRB (0.61) KCNH2PDGFRBPDGFRACYP2A6ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836596-B1 HYDRAZINE DERIVATIVES UNIROYAL CHEM CO INC (US) 2000-08-23 EP disclosed
EP-0836596-A1 HYDRAZINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1998-04-22 EP disclosed
WO-1997002257-A1 HYDRAZINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-01-23 WO disclosed