SCHEMBL6151959

SCHEMBL6151959

NCCNc1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 4/20 0.48
TSHR P16473 1/20 0.48
HTR7 P34969 2/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ENPP2 Q13822 1/20 0.45
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL6152560 0.89 HTR7 (0.50) KMT2ACYP3A4TSHRHTR7DRD2
SCHEMBL11508113 0.87 CYP3A4 (0.56) KMT2ACYP3A4TSHRHTR7CYP1A2
SCHEMBL9149358 0.87 HTR7 (0.49) KMT2ACYP3A4TSHRHTR7DRD2
Bromide SCHEMBL21436754 0.87 HTR7 (0.49) KMT2ACYP3A4TSHRHTR7DRD2
SCHEMBL11934987 0.85 HTR7 (0.48) KMT2ACYP3A4TSHRHTR7DRD2
SCHEMBL3478489 0.83 CYP3A4 (0.52) KMT2ACYP3A4TSHRHTR7DRD2
SCHEMBL30513572 0.83 CYP3A4 (0.52) KMT2ACYP3A4TSHRHTR7DRD2
SCHEMBL4500085 0.82 HTR7 (0.51) KMT2ACYP3A4TSHRHTR7ENPP2
SCHEMBL453961 0.82 CYP3A4 (0.50) KMT2ACYP3A4TSHRHTR7TAAR1
SCHEMBL29602312 0.82 CYP3A4 (0.50) KMT2ACYP3A4TSHRHTR7TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107955162-A A kind of halogen-free flameproof, high working property PA6T polyamides and preparation method thereof 广东聚航新材料研究院有限公司 2018-04-24 CN claimed
EP-1185234-B1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KGAA (DE) 2005-02-09 EP claimed
EP-1185234-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-13 EP claimed
WO-2001000152-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-04 WO claimed
CN-107955162-A A kind of halogen-free flameproof, high working property PA6T polyamides and preparation method thereof 广东聚航新材料研究院有限公司 2018-04-24 CN disclosed
EP-1185234-B1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KGAA (DE) 2005-02-09 EP disclosed
EP-1185234-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-13 EP disclosed
WO-2001000152-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-04 WO disclosed