SCHEMBL27485674

SCHEMBL27485674

O=Cc1cnccc1Nc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ PTGS1 P23219 10/20 0.41
▸ PTGS2 P35354 10/20 0.41
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ RAD52 P43351 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CTSD P07339 1/20 0.37

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
SCHEMBL2512039 0.89 ALDH1A1 (0.54) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL17119639 0.78 SMARCA2 (0.42) ADRA2AADRA2BADRA2CADRA1APTGS1
SCHEMBL28103239 0.77 CA12 (0.50) LMNA
SCHEMBL3645303 0.74 AOC1 (0.49) PTGS1PTGS2
SCHEMBL13387995 0.73 KDM4C (0.39) ALDH1A1LMNARAB9A
SCHEMBL29956744 0.71 TSHR (0.42) ALDH1A1HTTRAB9A
SCHEMBL14003573 0.71 RAD52 (0.52) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2600757 0.71 KMT2A (0.46) ALDH1A1LMNA
SCHEMBL29955436 0.71 KMT2A (0.46) ALDH1A1LMNA
SCHEMBL17461539 0.69 RAB9A (0.52) ALDH1A1PTGS1PTGS2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1187090-C Preventives/remedies for interstitial pneumonia and pulmonary fibrosis MITSUBISHI CHEM CORP (JP) 2005-02-02 — — CN disclosed
CN-1351504-A Prophylactic and therapeutic agent for interstitial pneumonia and pulmonary fibrosis YOSHITOMI PHARMACEUTICAL (JP) 2002-05-29 — — CN disclosed
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