SCHEMBL29490203

SCHEMBL29490203

CNc1cc(Cn2cnc(-c3ccccc3)c2C2CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NR1I2 O75469 3/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33

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
SCHEMBL29490229 0.87 MAPT (0.35) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29490276 0.85 NR1I2 (0.38) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29490216 0.85 RAD52 (0.42) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22862594 0.84 MAPT (0.40) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22862946 0.83 RAD52 (0.37) RAD52
SCHEMBL29490248 0.83 RAD52 (0.37) RAD52
SCHEMBL22862481 0.76 MAPT (0.35) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22862432 0.73 MAPK14 (0.42) MAPTALDH1A1RAD52MAPK1POLB
SCHEMBL29490284 0.73 MAPK14 (0.42) MAPTALDH1A1RAD52MAPK1POLB
SCHEMBL29490207 0.72 ALDH1A1 (0.36) KMT2ACYP1A2CYP2C9CYP2C19ALDH1A1

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
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
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