SCHEMBL10334199

SCHEMBL10334199

CCOc1ccc2cc3c(N)n[nH]c3nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 5/20 0.47
▸ TYMS P04818 1/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ TERT O14746 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PRKCE Q02156 1/20 0.41
▸ TTK P33981 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 2/20 0.39

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
SCHEMBL2090637 0.84 NCF1 (0.47) NCF1TYMSPDE3BPDE3AALDH1A1
SCHEMBL10333628 0.73 ILK (0.42) TYMSPDE3BPDE3AALDH1A1KMT2A
SCHEMBL11963370 0.73 TTK (0.52) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL11752456 0.73 TTK (0.64) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL10333750 0.72 PDE3B (0.54) NCF1TYMSPDE3BPDE3AALDH1A1
SCHEMBL23452966 0.72 NCF1 (0.74) NCF1ALDH1A1TP53CYP3A4TSHR
SCHEMBL10333619 0.71 GAA (0.57) PDE3BPDE3AALDH1A1CYP3A4KMT2A
SCHEMBL30185818 0.70 ALDH1A1 (0.56) NCF1ALDH1A1TP53CYP3A4TSHR
SCHEMBL25366182 0.69 GAA (0.58) PDE3BPDE3AALDH1A1TP53CYP3A4
SCHEMBL10333403 0.69 PDE3B (0.51) PDE3BPDE3AALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920128-A TREATMENT OF HERPES VIRUS STERLING DRUG INC. (US) 1990-04-24 — — US disclosed
Send feedback