SCHEMBL13170396

SCHEMBL13170396

Cc1ccccc1C1=CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.46
▸ HTR7 P34969 3/20 0.40
▸ PARP1 P09874 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ TSHR P16473 2/20 0.35

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
SCHEMBL5769479 0.76 CYP2A6 (0.40) HTR7PARP1NPC1RAB9ASMN1; SMN2
SCHEMBL12997917 0.76 IDO1 (0.35) IDO1
SCHEMBL14839511 0.72 NISCH (0.42) NISCHHTR7PARP1PARP10PARP11
SCHEMBL7163648 0.70 NISCH (0.39) NISCHPARP10PARP11NPC1GAA
SCHEMBL8959970 0.69 HTR2A (0.59) NISCHHTR7ADRA2AADRA2BHTR2A
SCHEMBL21616233 0.69 NISCH (0.40) NISCHHTR7PARP1PARP10PARP11
SCHEMBL197690 0.67 ACHE (0.64) NISCHHTR7NPC1RAB9ASMN1; SMN2
SCHEMBL30354037 0.67 ACHE (0.64) NISCHHTR7NPC1RAB9ASMN1; SMN2
SCHEMBL30169568 0.67 ACHE (0.64) NISCHHTR7NPC1RAB9ASMN1; SMN2
SCHEMBL27895715 0.66 TSHR (0.41) NISCHHTR7NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206749-B1 PHTHALOCYANINE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2012-11-21 — — EP disclosed
US-8304536-B2 Phthalocyanine compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-06 — — US disclosed
US-8304536-B2 Phthalocyanine compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-06 — — US disclosed
US-20100228021-A1 PHTHALOCYANINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-09 — — US disclosed
US-20100228021-A1 PHTHALOCYANINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-09 — — US disclosed
EP-2206749-A1 PHTHALOCYANINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-07-14 — — EP disclosed
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