SCHEMBL7953665

SCHEMBL7953665

NC(=O)c1cc(-c2cccnc2)n2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 14/20 0.47
MKNK2 Q9HBH9 13/20 0.47
CYP11B2 P19099 3/20 0.46
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL2157288 0.96 MKNK1 (0.46) MKNK1MKNK2CYP11B2
SCHEMBL7946521 0.89 KMO (0.46) MKNK1MKNK2CYP11B2
Hydrochloric Acid SCHEMBL10737389 0.86 CYP11B2 (0.41) MKNK1MKNK2CYP11B2
SCHEMBL7953705 0.85 CYP2C9 (0.43) MKNK1MKNK2CYP11B2KMT2A
SCHEMBL10737507 0.84 CYP11B2 (0.47) MKNK1MKNK2CYP11B2
SCHEMBL7946664 0.84 CYP11B2 (0.43) CYP11B2
Hydrochloric Acid SCHEMBL10742608 0.83 CYP2C9 (0.39) CYP11B2
SCHEMBL10858691 0.82 MKNK1 (0.45) MKNK1MKNK2CYP11B2KMT2ARXFP1
SCHEMBL10742663 0.81 MKNK1 (0.45) MKNK1MKNK2CYP11B2KMT2A
SCHEMBL7954905 0.81 NR4A2 (0.46) CYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
US-4584297-A Pyrrolo[1,2-c]-1,3-thiazines RHONE-POULENC SANTE (FR) 1986-04-22 US disclosed
US-4546100-A Pyrrolo[1,2-c]thiazoles useful as antithrombotic agents RHONE-POULENC SANTE (FR) 1985-10-08 US disclosed
US-4539400-A Pyridin-3-yl substituted ortho-fused pyrrole derivatives RHONE-POULENC SANTE (FR) 1985-09-03 US disclosed