SCHEMBL6657713

SCHEMBL6657713

Nc1ccc(N)c(NCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
PRSS1 P07477 8/20 0.37
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34
BLM P54132 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
SCHEMBL14155095 0.87 ALDH1A1 (0.44) PRSS1TSHRKDM4EMAPTNQO2
SCHEMBL2927441 0.84 PRSS1 (0.49) KMT2APRSS1FCGR3BFCGR1AFCGR2A
SCHEMBL5707666 0.82 CA1 (0.41) KMT2AFCGR3BFCGR1AFCGR2ACYP2C19
SCHEMBL6573315 0.82 KMT2A (0.37) KMT2APRSS1FCGR3BFCGR1AFCGR2A
SCHEMBL9789765 0.82 CA12 (0.40) PRSS1RECQLTSHRNQO2
SCHEMBL6269481 0.81 ADRA2B (0.35) KMT2APRSS1FCGR3BFCGR1AFCGR2A
SCHEMBL30461744 0.81 MAPT (0.44) KMT2APRSS1CYP2C19CYP2D6RECQL
SCHEMBL10099695 0.81 SMN1; SMN2 (0.43) KMT2ACYP2C19CYP2D6TDP1TSHR
SCHEMBL418892 0.81 MAPT (0.44) KMT2APRSS1CYP2C19CYP2D6RECQL
SCHEMBL13259451 0.81 KMT2A (0.36) KMT2APRSS1CYP2C19CYP2D6RECQL

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
EP-1434560-A1 METHOD FOR DYEING AND SUBSEQUENT BLEACHING OF HAIR Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
WO-2003030849-A1 METHOD FOR DYEING AND SUBSEQUENT BLEACHING OF HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-3328352-A1 LIGHTENING METHOD USING SPECIAL SILOXANE COMPOUNDS Henkel AG & Co. KGaA (DE) 2018-06-06 EP disclosed
EP-1434560-A1 METHOD FOR DYEING AND SUBSEQUENT BLEACHING OF HAIR Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP disclosed
WO-2003030849-A1 METHOD FOR DYEING AND SUBSEQUENT BLEACHING OF HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed
EP-0128272-B1 2,4-DIAMINOBENZENE DERIVATES, THEIR PRODUCTION AND USE AS COUPLING SUBSTANCES Henkel Kommanditgesellschaft auf Aktien (DE) 1986-10-15 EP disclosed
EP-0039807-B1 HAIR-DYEING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1984-02-15 EP disclosed
EP-0039030-A1 Coupler components for oxidative hair dyes, their preparation and their use, and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed