SCHEMBL46325

SCHEMBL46325

Cc1cnc2c(c1)N(C)C(=O)CN2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 1/20 0.39
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 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
SCHEMBL16498534 0.82 HSD17B10 (0.39) STK4PDE5AALDH1A1TSHRHSD17B10
SCHEMBL25462583 0.75 STK4 (0.51) STK4PDE5AALDH1A1TSHRTUBB4A
SCHEMBL23416642 0.73 GAA (0.35) ALDH1A1TSHRHSD17B10POLBMAPT
SCHEMBL25975819 0.72 TRIM24 (0.35) HSD17B10USP2POLBMAPTSMN1; SMN2
SCHEMBL15823778 0.71 SMN1; SMN2 (0.42) STK4ALDH1A1TSHRPOLBMAPT
SCHEMBL7601862 0.71 CYP11B2 (0.38) HSD17B10USP2POLBMAPTSMN1; SMN2
SCHEMBL8629038 0.69 CYP11B2 (0.36) PDE5ATRIM24CYP11B1CYP11B2
SCHEMBL46331 0.69 PDE3B (0.43) TSHRPDE3BPDE3ACYP11B1CYP11B2
SCHEMBL25463701 0.69 STK4 (0.52) STK4ALDH1A1TSHRPRKDCRPS6KA3
SCHEMBL17813461 0.69 BRPF1 (0.42) HSD17B10USP2POLBMAPTSMN1; SMN2

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
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed