SCHEMBL26599232

SCHEMBL26599232

Nc1nnc(CCc2ccc(Br)cc2)s1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
ALDH1A1 P00352 7/20 0.50
POLB P06746 3/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLS O94925 2/20 0.47
COPS5 Q92905 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL17967711 0.82 ATM (0.69) ATMALDH1A1POLBGLSMEN1
SCHEMBL17967124 0.82 ALDH1A1 (0.72) ATMALDH1A1POLBSMN1; SMN2GLS
SCHEMBL3729367 0.81 ATM (1.00) ATMALDH1A1POLBNPC1RAB9A
Hydrochloric Acid SCHEMBL21391938 0.81 ATM (0.67) ATMALDH1A1POLBGLSMEN1
SCHEMBL18010484 0.78 ALDH1A1 (0.75) ATMALDH1A1POLBNPC1RAB9A
SCHEMBL19793294 0.78 ATM (0.63) ATMALDH1A1POLBGLSMEN1
SCHEMBL26599691 0.78 ATM (0.63) ATMALDH1A1POLBGLSMEN1
SCHEMBL10873457 0.71 ATM (0.80) ATMALDH1A1POLBGLSHTT
SCHEMBL14427584 0.71 ALDH1A1 (0.76) ATMALDH1A1POLBGLSLMNA
SCHEMBL626076 0.71 TAAR1 (0.68) ALDH1A1POLB

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
CN-118974043-A Polq inhibitor compounds and uses thereof 南京再明医药有限公司 2024-11-15 CN disclosed
WO-2023202623-A1 POLQ INHIBITOR COMPOUND AND USE THEREOF 南京再明医药有限公司 2023-10-26 WO disclosed