SCHEMBL11729486

SCHEMBL11729486

CS(=O)(=O)N1CCN(C(=O)NC(C(=O)O)c2ccc(Cl)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNB1 Q02641 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GRIN2B Q13224 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ SLC6A9 P48067 2/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL11734338 0.89 ALDH1A1 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11730520 0.89 FOLH1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10674321 0.89 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL10759071 0.89 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11728497 0.89 LMNA (0.36) CACNA2D1CACNA1BCACNB1MEN1KMT2A
SCHEMBL11736974 0.84 MAPT (0.36) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL11732221 0.83 GRIN2B (0.38) CACNA2D1CACNA1BCACNB1MEN1KMT2A
SCHEMBL11727624 0.83 RAB9A (0.33) NPC1RAB9ACNR1NPSR1LMNA
SCHEMBL11734433 0.82 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL11740251 0.81 CACNA2D1 (0.36) CACNA2D1CACNA1BCACNB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009272-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 — — US disclosed
US-3983105-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-09-28 — — US disclosed
US-3978056-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3975375-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 — — US disclosed
US-3974142-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3974141-A IMIDAZOLIDINYL-CARBAMIDOBACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3972869-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
US-3972870-A IMIDAZOLIDINYL-CARBAMIDO-BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
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