SCHEMBL4755993

SCHEMBL4755993

CC(C)(C)Sc1ccncc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 16/20 0.48
KDM4C Q9H3R0 3/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL18398749 0.83 KDM4C (0.44) SLC22A12KDM4CTDP1KDM4EMEN1
SCHEMBL18776110 0.82 SLC22A12 (0.42) SLC22A12TDP1
SCHEMBL3074800 0.80 KDM4C (0.49) SLC22A12KDM4CTDP1KDM4EMEN1
SCHEMBL1656950 0.80 POLB (0.52) SLC22A12KDM4CTDP1KDM4EMEN1
SCHEMBL11504517 0.78 KDM4C (0.50) SLC22A12KDM4CTDP1KDM4EMEN1
SCHEMBL30425929 0.77 KDM4C (0.46) SLC22A12KDM4CTDP1KDM4EMEN1
SCHEMBL20511499 0.77 KDM4C (0.46) SLC22A12KDM4CTDP1KDM4EMEN1
SCHEMBL16611699 0.76 HSD17B10 (0.49) SLC22A12KDM4CTDP1KDM4EMEN1
Hydrochloric Acid SCHEMBL16612069 0.75 HSD17B10 (0.48) SLC22A12KDM4CTDP1KDM4EMEN1
SCHEMBL10447747 0.74 POLB (0.61) TDP1KDM4EALDH1A1MAPT

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-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed