SCHEMBL8335461

SCHEMBL8335461

O=[N+]([O-])c1cc(NCCO)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 5/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 3/20 0.52
VCAM1 P19320 3/20 0.49
P2RX1 P51575 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.47
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
SCHEMBL20714769 0.84 MAPT (0.50) MEN1KMT2AMAPTHTTLMNA
SCHEMBL3378074 0.83 EGFR (0.61) KMT2AMAPTLMNAALDH1A1TSHR
SCHEMBL29392416 0.83 ALDH1A1 (0.68) KMT2AMAPTLMNAALDH1A1TSHR
SCHEMBL127370 0.83 ALDH1A1 (0.68) KMT2AMAPTLMNAALDH1A1TSHR
SCHEMBL5713544 0.82 ALDH1A1 (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL111190 0.81 MAPT (0.50) MEN1KMT2AMAPTHTTLMNA
SCHEMBL2938667 0.81 MEN1 (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9502563 0.81 LMNA (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL26090819 0.80 MEN1 (0.49) MEN1KMT2AMAPTHTTLMNA
SCHEMBL2467753 0.79 ALDH1A1 (0.56) KMT2AMAPTGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891199-A CONDENSATION PRODUCT OF A CHITOSAN WITH A HALOGEN-SUBSTITUTED NITROANILINE COMPOUND. HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (KGAA) (DE) 1999-04-06 US claimed
US-5891199-A CONDENSATION PRODUCT OF A CHITOSAN WITH A HALOGEN-SUBSTITUTED NITROANILINE COMPOUND. HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (KGAA) (DE) 1999-04-06 US disclosed
EP-0814755-A1 POLYMER DYESTUFFS AND THEIR USE FOR DYEING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 1998-01-07 EP disclosed
WO-1996029046-A1 POLYMER DYESTUFFS AND THEIR USE FOR DYEING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-09-26 WO disclosed
US-3978061-A HAIR DYES L'OREAL (FR) 1976-08-31 US disclosed