SCHEMBL9086580

SCHEMBL9086580

Clc1cc(Cl)nc(N2CCC3(CC2)OCCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.44
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
LGMN Q99538 1/20 0.38
PTPN11 Q06124 1/20 0.38
FLT3 P36888 1/20 0.37
NPC1 O15118 1/20 0.37
HCRTR1 O43613 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL9083863 0.91 MAPT (0.44) TACR2HSD17B10ATMALDH1A1SMN1; SMN2
SCHEMBL17893619 0.83 LGMN (0.44) HSD17B10ATMALDH1A1SMN1; SMN2MAPT
SCHEMBL4557553 0.82 TACR2 (0.40) TACR2HSD17B10ATMALDH1A1SMN1; SMN2
SCHEMBL9948445 0.79 KMT2A (0.50) HSD17B10ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL17893639 0.79 HSD17B10 (0.43) TACR2HSD17B10ATMALDH1A1SMN1; SMN2
SCHEMBL6351916 0.79 MAPT (0.45) HSD17B10ATMALDH1A1SMN1; SMN2MAPT
SCHEMBL6349573 0.77 CASP1 (0.60) ALDH1A1MAPTLMNANPC1KMT2A
SCHEMBL9083987 0.76 MAPT (0.43) HSD17B10ATMALDH1A1SMN1; SMN2MAPT
SCHEMBL12490953 0.76 PTPN11 (0.43) TACR2HSD17B10ATMALDH1A1SMN1; SMN2
SCHEMBL17673774 0.76 MAPT (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550240-A Piperazinyl-bis(alkylamino)pyrimidine derivatives and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-08-27 US disclosed
US-5547949-A INHIBITING PEROXIDATION OF LIPIDS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-08-20 US disclosed
EP-0646126-A1 NOVEL STEROIDS WITH PREGNANE SKELETON, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-04-05 EP disclosed
EP-0644882-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-03-29 EP disclosed
WO-1993025570-A1 NOVEL STEROIDS WITH PREGNANE SKELETON, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 WO disclosed
WO-1993025539-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 WO disclosed