SCHEMBL9213845

SCHEMBL9213845

COc1ccc(OCCCC2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
S1PR4 O95977 1/20 0.42
HTT P42858 1/20 0.40
HTR4 Q13639 1/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
AR P10275 2/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5884759 0.76 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9200963 0.76 LMNA (0.54) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9270932 0.75 LMNA (0.52) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL9218169 0.75 LMNA (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9220790 0.73 MEN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884646 0.73 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5883897 0.73 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884679 0.73 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884554 0.73 MEN1 (0.39) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884597 0.72 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed