SCHEMBL7800935

SCHEMBL7800935

COCCCNc1ccc(N)cc1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.43
PDE7A Q13946 3/20 0.43
PDE2A O00408 1/20 0.43
PDE5A O76074 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.41
PTGER4 P35408 2/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DYRK1A Q13627 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CFTR P13569 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL7807487 0.92 POLB (0.44) PDE4BPDE7APDE2APDE5APDE1B
SCHEMBL7805962 0.83 PDE4B (0.40) PDE4BPDE7APDE2APDE5APDE1B
SCHEMBL7807574 0.80 TAAR1 (0.40) ADORA2AADORA1ADORA2BPOLBHSD17B10
SCHEMBL7800808 0.78 ADORA2A (0.41) PDE4BPDE7APDE2APDE5APDE1B
SCHEMBL7461915 0.78 PTGER4 (0.43) PDE3APTGER4HTTSMN1; SMN2HSD17B10
SCHEMBL7805952 0.75 TAAR1 (0.46) ADORA2AADORA1ADORA2BPOLBHSD17B10
SCHEMBL7809829 0.75 PTGER4 (0.40) PDE3APTGER4POLBHTTSMN1; SMN2
SCHEMBL7806017 0.75 GAA (0.41) PTGER4POLBHTTSMN1; SMN2HSD17B10
SCHEMBL7800685 0.74 TAAR1 (0.35) ADORA2AADORA1POLBHSD17B10TAAR1
SCHEMBL7808816 0.74 PTGER4 (0.40) PTGER4HTTSMN1; SMN2HSD17B10MAPT

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
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed