SCHEMBL1289455

SCHEMBL1289455

COc1ccc2nc(-c3cc4ccccc4s3)nc(NCCCN(C)C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ FLT3 P36888 7/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KDM1A O60341 3/20 0.49
▸ EHMT2 Q96KQ7 2/20 0.49
▸ RCOR1 Q9UKL0 2/20 0.49
▸ TERT O14746 3/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ TRIM58 Q8NG06 2/20 0.43

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
SCHEMBL1289571 0.88 ALDH1A1 (0.65) RAD52POLBRXFP1FLT3ALDH1A1
Hydrochloric Acid SCHEMBL4511312 0.87 ALDH1A1 (0.67) RAD52POLBRXFP1FLT3ALDH1A1
SCHEMBL1687915 0.82 RAD52 (0.72) RAD52POLBRXFP1FLT3ALDH1A1
SCHEMBL1289424 0.81 RAD52 (0.59) RAD52POLBRXFP1FLT3ALDH1A1
SCHEMBL1289391 0.79 RAD52 (0.59) RAD52POLBRXFP1FLT3ALDH1A1
SCHEMBL12473282 0.78 KDM1A (0.42) RAD52POLBRXFP1ALDH1A1KDM1A
Hydrochloric Acid SCHEMBL4507791 0.78 RAD52 (0.61) RAD52POLBRXFP1FLT3ALDH1A1
SCHEMBL1289551 0.77 RAD52 (0.56) RAD52POLBRXFP1FLT3ALDH1A1
SCHEMBL1289534 0.73 RAD52 (0.67) RAD52POLBRXFP1FLT3ALDH1A1
SCHEMBL12473279 0.72 KDM1A (0.42) ALDH1A1MAPK1KDM1AKMT2A

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
WO-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 — — WO disclosed
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