SCHEMBL6615852

SCHEMBL6615852

CCOC(=O)c1nc2ccc(Cl)nn2c1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
MAPT P10636 4/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.44
TARBP2 Q15633 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 6/20 0.43
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL27197675 0.88 PDE4A (0.49) PDE4AMAPTHSD17B10ALDH1A1TARBP2
SCHEMBL15548631 0.86 ALDH1A1 (0.45) MAPTHSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL6617769 0.81 HPGD (0.47) PDE4AMAPTALDH1A1KDM4ENPC1
SCHEMBL6619842 0.81 HSD17B10 (0.40) PDE4AMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL953671 0.81 MAPK1 (0.52) PDE4AMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL24066285 0.80 PDE4A (0.47) PDE4AMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL15538674 0.80 PDE10A (0.45) HSD17B10ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL14881487 0.80 CYP1A2 (0.44) PDE4AMAPTALDH1A1KDM4ENPC1
SCHEMBL6622167 0.78 KDM4E (0.43) MAPTHSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL6620317 0.76 TSHR (0.37) PDE4AMAPTHSD17B10ALDH1A1KDM4E

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-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed