SCHEMBL7922537

SCHEMBL7922537

NNc1cc(Cl)c(C(CO)c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.36
P2RX7 Q99572 1/20 0.36
LMNA P02545 4/20 0.35
CYP2C9 P11712 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CASR P41180 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
IDO1 P14902 2/20 0.35

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
SCHEMBL1979065 0.74 TSHR (0.44) TDP1CNR1LMNACYP2C9MEN1
SCHEMBL4058257 0.73 IDO1 (0.50) MAPTKDM4ECNR1P2RX7LMNA
SCHEMBL7922556 0.72 TSHR (0.41) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL7843623 0.71 MEN1 (0.45) MAPTNPC1POLBRAB9ATDP1
SCHEMBL7919720 0.71 L3MBTL1 (0.44) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL14830681 0.70 ACP3 (0.46) MAPTCNR1P2RX7LMNAMEN1
Hydrochloric Acid SCHEMBL28619070 0.70 MEN1 (0.44) MAPTNPC1POLBRAB9ATDP1
SCHEMBL7917050 0.69 ADRB2 (0.34) MAPTKDM4ELMNACYP3A4IDO1
SCHEMBL7836753 0.66 HSP90AB1 (0.39) MAPTKDM4ELMNACYP2C9MEN1
SCHEMBL7917040 0.65 SLC6A4 (0.40) CNR1CYP2C9MEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed