SCHEMBL29801075

SCHEMBL29801075

CCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cccnc3C)cc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 6/20 0.45
▸ SCN10A Q9Y5Y9 6/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ HTT P42858 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
SCHEMBL24975179 1.00 SCN2A (0.45) SCN2ASCN10ASMN1; SMN2PIK3CAROCK2
SCHEMBL29801147 0.86 SMN1; SMN2 (0.42) SCN2ASCN10ASMN1; SMN2ROCK2KDM4E
SCHEMBL24975336 0.86 SMN1; SMN2 (0.42) SCN2ASCN10ASMN1; SMN2ROCK2KDM4E
SCHEMBL29996168 0.85 PIK3CA (0.46) SCN2ASCN10ASMN1; SMN2PIK3CAROCK2
SCHEMBL29995413 0.82 LMNA (0.54) LMNAPOLBHTT
SCHEMBL29854301 0.76 MCHR1 (0.46) SCN2ASCN10APIK3CALMNAPOLB
SCHEMBL24975301 0.76 MCHR1 (0.46) SCN2ASCN10APIK3CALMNAPOLB
SCHEMBL24975171 0.76 SCN2A (0.44) SCN2ASCN10APIK3CAROCK2KDM4E
SCHEMBL29801166 0.76 SCN2A (0.44) SCN2ASCN10APIK3CAROCK2KDM4E
SCHEMBL29995782 0.75 LMNA (0.44) SCN2ASCN10ASMN1; SMN2ROCK2ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930509-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-05-06 — — CN disclosed
CN-114929672-B Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-01-21 — — CN disclosed
EP-4055008-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS Remedy Plan, Inc. (US) 2022-09-14 — — EP disclosed
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 — — CN disclosed
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