SCHEMBL29082344

SCHEMBL29082344

O=COCCc1nnc(Cc2ccc(Cl)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28264126 0.85 RAB9A (0.47) POLBNPC1KMT2AHPGDTSHR
SCHEMBL27851482 0.80 MAPT (0.48) POLBNPC1ALOX12KMT2ATSHR
SCHEMBL2096497 0.76 TAAR1 (0.45) LMNA
SCHEMBL30578691 0.73 NPC1 (0.55) POLBNPC1ALOX12KMT2AHPGD
Ethoxycarbonyl Group SCHEMBL29082342 0.71 KMT2A (0.36) POLBNPC1ALOX12KMT2AHPGD
SCHEMBL29082341 0.71 ALOX12 (0.48) POLBNPC1ALOX12KMT2AHPGD
SCHEMBL10364620 0.68 NPC1 (0.54) POLBNPC1ALOX12KMT2AHPGD
SCHEMBL27720342 0.68 TSHR (0.39) TSHR
SCHEMBL2792565 0.68 HPGD (0.51) POLBNPC1ALOX12KMT2AHPGD
SCHEMBL27868449 0.68 ALDH1A1 (0.53) POLBNPC1KMT2AHPGDTSHR

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
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 — — CN disclosed
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