SCHEMBL6771010

SCHEMBL6771010

O=C(CCl)NNC(=O)c1ccco1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ ALDH1A1 P00352 3/20 0.57
▸ HDAC3 O15379 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ GAA P10253 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL24932409 0.79 KMT2A (0.65) HPGDSMN1; SMN2ALDH1A1HDAC3NPC1
SCHEMBL27996731 0.78 SMN1; SMN2 (0.73) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11715571 0.77 ALDH1A1 (0.74) HPGDSMN1; SMN2ALDH1A1PKMNPC1
SCHEMBL12666949 0.75 HPGD (0.63) HPGDSMN1; SMN2ALDH1A1HDAC3PKM
SCHEMBL14117959 0.75 ALDH1A1 (0.56) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13484481 0.74 SMN1; SMN2 (0.62) HPGDSMN1; SMN2ALDH1A1HDAC3PKM
SCHEMBL11551155 0.74 ALDH1A1 (0.58) HPGDSMN1; SMN2ALDH1A1PKMNPC1
SCHEMBL15267942 0.74 SMN1; SMN2 (0.62) HPGDSMN1; SMN2ALDH1A1HDAC3PKM
SCHEMBL21833012 0.74 SMN1; SMN2 (0.62) HPGDSMN1; SMN2ALDH1A1HDAC3NPC1
SCHEMBL27405353 0.74 SMN1; SMN2 (0.62) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 — — US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 — — EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 — — EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS — 1998-03-12 — — WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 — — WO disclosed
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