SCHEMBL10404583

SCHEMBL10404583

O=C(CC(Cl)Cl)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ TSHR P16473 2/20 0.56
▸ EPHX2 P34913 2/20 0.55
▸ MAPT P10636 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ SLC1A3 P43003 1/20 0.51
▸ SLC1A2 P43004 1/20 0.51
▸ SLC1A1 P43005 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL11430509 0.85 LMNA (0.65) HPGDLMNATSHREPHX2MAPT
SCHEMBL9577342 0.83 LMNA (0.54) HPGDLMNATSHREPHX2MAPT
SCHEMBL9118496 0.82 EPHX2 (0.53) HPGDLMNATSHREPHX2MAPT
SCHEMBL6128160 0.82 KDM1A (0.53) HPGDLMNATSHREPHX2MAPT
SCHEMBL11601130 0.80 LMNA (0.59) HPGDLMNATSHREPHX2MAPT
SCHEMBL6062563 0.80 LMNA (0.59) HPGDLMNATSHREPHX2MAPT
SCHEMBL3021548 0.80 LMNA (0.86) HPGDLMNATSHRMAPTALDH1A1
SCHEMBL4747178 0.79 KDM1A (0.54) HPGDLMNATSHREPHX2MAPT
SCHEMBL5907668 0.78 HPGD (0.67) HPGDLMNATSHREPHX2MAPT
SCHEMBL8563381 0.78 HPGD (0.62) HPGDLMNATSHREPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940711-A Antihypertensive N-piperazinylalkanoylanilides RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1990-07-10 — — US disclosed
EP-0120558-A1 Antihypertensive N-piperazinylalkanoylanilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1984-10-03 — — EP disclosed
US-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
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