SCHEMBL11188708

SCHEMBL11188708

NCCN1CCN=C1c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 3/20 0.46
▸ HDAC4 P56524 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ UHRF1 Q96T88 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL11193815 0.82 DNMT1 (0.37) PTAFRDPP4SMARCA2DNMT1RAD52
SCHEMBL11829561 0.81 PTAFR (0.48) PTAFRHDAC4HDAC8HDAC5SMARCA2
SCHEMBL10365364 0.78 TOP2A (0.47) PTAFRALDH1A1NPC1SMN1; SMN2
SCHEMBL16869399 0.75 TOP2A (0.54) —
SCHEMBL11187693 0.73 KDM4E (0.38) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL11190925 0.73 MAPT (0.45) MAOBALDH1A1NPC1LMNARAB9A
SCHEMBL11180683 0.71 ADRA2B (0.46) LMNA
Hydrochloric Acid SCHEMBL11195804 0.70 NPSR1 (0.50) ALDH1A1NPC1LMNARAB9A
SCHEMBL11192478 0.70 TOP2A (0.46) PTAFR
SCHEMBL11188706 0.70 PTAFR (0.46) PTAFRHDAC4HDAC8HDAC5DPP4

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
US-4420619-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1983-12-13 — — US disclosed
EP-0004561-B1 UREA AND AMIDE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICALS CONTAINING THEM AND THEIR USE FOR PREPARING PHARMACEUTICAL COMPOSITIONS CIBA-GEIGY AG (CH) 1981-11-04 — — EP disclosed
US-4292429-A Imidazole urea and amido compounds CIBA-GEIGY CORPORATION (US) 1981-09-29 — — US disclosed
EP-0004561-A2 Urea and amide derivatives, their preparation, pharmaceuticals containing them and their use for preparing pharmaceutical compositions CIBA-GEIGY AG (CH) 1979-10-17 — — EP disclosed
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