SCHEMBL9595820

SCHEMBL9595820

Cc1cc(C)nc(NC=C(C#N)c2nnn[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ HSD11B1 P28845 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TNNI3 P19429 1/20 0.31
▸ TNNT2 P45379 1/20 0.31
▸ TNNC1 P63316 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ PHGDH O43175 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CREBBP Q92793 1/20 0.30

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
SCHEMBL9603546 0.82 KMT2A (0.41) MAPTLMNAMEN1USP2POLB
SCHEMBL9595934 0.81 KMT2A (0.45) NOS2MAPTLMNALCKMEN1
SCHEMBL10862964 0.79 NOS3 (0.48) NOS3NOS2HSD11B1MAPTLMNA
SCHEMBL9594788 0.78 RAB9A (0.39) MAPTLMNAMEN1POLBKMT2A
SCHEMBL10991118 0.75 MAPT (0.33) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL10996793 0.75 MAPT (0.33) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL9596037 0.70 ALDH1A1 (0.41) MAPTMEN1KMT2ANPSR1CREBBP
SCHEMBL9597747 0.70 PKM (0.46) MAPTMEN1KMT2ANPSR1
SCHEMBL9038730 0.69 MAPT (0.43) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL9038722 0.69 MAPT (0.43) MAPTLMNAMEN1KMT2AMAPK1

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-1993016076-A1 3-(1H^_-TETRAZOL-5-YL)-4H^_-PYRIDO[1,2-A^_]PYRIMIDINE-4-ONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO disclosed
WO-1993016070-A1 3-(PYRIDYLAMINO)-2-(1H^_-TETRAZOL-5-YL)-ACRYLNITRILES AND A PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO disclosed
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